SCHEMBL6154569

SCHEMBL6154569

CC(C)c1ccc(N=C(N)Nc2ccc(C(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 1.00
GRIN2D O15399 6/20 1.00
GRIN3B O60391 6/20 1.00
GRIN1 Q05586 6/20 1.00
GRIN2A Q12879 6/20 1.00
GRIN2B Q13224 6/20 1.00
GRIN2C Q14957 6/20 1.00
GRIN3A Q8TCU5 6/20 1.00
MAPK1 P28482 1/20 0.61
LMNA P02545 1/20 0.55
CYP2D6 P10635 1/20 0.55
SLC6A2 P23975 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KIF11 P52732 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADRA2A P08913 1/20 0.53

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
SCHEMBL4628479 0.89 SIGMAR1 (0.80) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4978163 0.85 SIGMAR1 (0.74) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4979589 0.83 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10941147 0.79 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1273372 0.79 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7685254 0.79 GRIN2D (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4988046 0.78 SIGMAR1 (0.63) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9292628 0.77 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2281406 0.76 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9179995 0.75 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US disclosed
US-5741661-A SCREENING ASSAY CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-04-21 US disclosed
US-5686495-A Substituted hydrazinedicarboximidamides and methods of use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-11-11 US disclosed
US-5681861-A BLOCKING VOLTAGE SENSITIVE SODIUM AND CALCIUM CHANNELS IN MAMMALIAN NERVE CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-10-28 US disclosed
US-5677348-A ADMINISTERING AN ANTAGONIST OF RELEASING ENDOGENOUS GLUTAMATE OR NEUROTRANSMITTER RELEASE MODULATORS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-10-14 US disclosed
US-5672608-A INHIBIT RELEASE OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-09-30 US disclosed
US-5670519-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-09-23 US disclosed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 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