SCHEMBL6154851

SCHEMBL6154851

N=C(Nc1ccc(C2CC2)cc1)Nc1ccc(C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
DEGS1 O15121 1/20 0.44
ESR2 Q92731 4/20 0.42
MITF O75030 1/20 0.41
KLF5 Q13887 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SLC18A3 Q16572 1/20 0.40
NAMPT P43490 1/20 0.40
IDO1 P14902 1/20 0.40
JAK3 P52333 1/20 0.39
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6155615 0.90 HDAC8 (0.55) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL9236439 0.86 NPC1 (0.46) HDAC3HDAC11HDAC8HDAC6HTT
SCHEMBL8742394 0.80 HDAC8 (0.50) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5868999 0.75 SLC18A3 (0.63) HDAC3HDAC11HDAC8HDAC6POLB
SCHEMBL12810977 0.75 HDAC3 (0.57) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL8742405 0.75 HDAC8 (0.53) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL11278743 0.75 HDAC3 (0.45) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL21187085 0.73 IDO1 (0.55) POLBALDH1A1IDO1CYP2C9RAB9A
SCHEMBL21187113 0.73 IDO1 (0.55) POLBALDH1A1IDO1CYP2C9RAB9A
Iodide SCHEMBL11193345 0.72 HDAC8 (0.50) HDAC3HDAC11HDAC8HDAC6DEGS1

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 20 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-5614630-A NEUROTRANSMITTER RELEASE MODULATOR CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-03-25 US disclosed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US disclosed