SCHEMBL6157161

SCHEMBL6157161

N=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.57
▸ PTPN11 Q06124 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ DEGS1 O15121 1/20 0.48
▸ WDR5 P61964 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ DHODH Q02127 2/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44

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
Benzene SCHEMBL27899223 0.85 HSD17B10 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL35172 0.85 HSD17B10 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20163213 0.85 HSD17B10 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27893081 0.84 TAAR1 (0.49) PTPN1PTPN11TAAR1ALDH1A1NPC1
SCHEMBL16692454 0.82 KIF11 (0.49) PTPN1PTPN11TAAR1ALDH1A1NPC1
SCHEMBL14448339 0.82 NPC1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL31160596 0.82 TAS2R38 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Fluoride SCHEMBL20815438 0.82 TAS2R38 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Hydrogen Sulfide SCHEMBL28324183 0.82 TAS2R38 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Bromide SCHEMBL473887 0.82 TAS2R38 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 15 patents. 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 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-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
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