SCHEMBL6154854

SCHEMBL6154854

C1CCC(N=C(NNC(=NC23CC4CC(CC(C4)C2)C3)NC23CC4CC(CC(C4)C2)C3)NC2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.53
EPHX2 P34913 5/20 0.48
EPHX1 P07099 2/20 0.48
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2740850 0.87 SIGMAR1 (0.60) SIGMAR1EPHX2EPHX1TSHRCYP3A4
SCHEMBL6155761 0.79 SIGMAR1 (0.67) SIGMAR1EPHX2EPHX1
SCHEMBL6155365 0.76 SIGMAR1 (0.76) SIGMAR1EPHX2EPHX1CYP3A4ALDH1A1
SCHEMBL6154846 0.75 SIGMAR1 (0.50) SIGMAR1EPHX2EPHX1TSHRCYP3A4
SCHEMBL9274666 0.74 SIGMAR1 (0.62) SIGMAR1EPHX2EPHX1TSHRCYP3A4
SCHEMBL2740883 0.72 SIGMAR1 (0.66) SIGMAR1EPHX2EPHX1
SCHEMBL6154328 0.71 EPHX2 (0.47) SIGMAR1EPHX2EPHX1L3MBTL1
SCHEMBL8873221 0.70 SIGMAR1 (0.54) SIGMAR1EPHX2EPHX1TSHR
SCHEMBL6155535 0.70 SIGMAR1 (1.00) SIGMAR1EPHX2EPHX1TSHRCYP3A4
Hydrochloric Acid SCHEMBL6158212 0.69 SIGMAR1 (1.00) SIGMAR1EPHX2EPHX1TSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP claimed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP claimed
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US claimed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 US claimed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US claimed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP claimed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP claimed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO claimed
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP disclosed
US-6071969-A ADMINISTERING AMINOGUANIDINE DERIVATIVE TO MAMMAL FOR TREATING OR PREVENTING DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF DISORDER INVOLVES EXCESSIVE RELEASE OF OF NEUROTRANSMITTER FROM NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-06-06 US disclosed
EP-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP disclosed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US disclosed
US-5637623-A CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-06-10 US disclosed
US-5622968-A ADMINISTERING TO BLOCK VOLTAGE SENSITIVE CALCIUM CHANNELS OF MAMMALIAN NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-04-22 US disclosed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US disclosed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed