SCHEMBL6162121

SCHEMBL6162121

COC(=O)Oc1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.46
NTRK2 Q16620 8/20 0.46
ACSL1 P33121 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAD52 P43351 1/20 0.42
ITK Q08881 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL7160505 0.84 NTRK1 (0.39) NTRK1NTRK2MAPT
SCHEMBL6475543 0.83 KDM4E (0.48) NTRK1NTRK2HDAC1HDAC8NPC1
SCHEMBL6486632 0.80 F2 (0.50) NTRK1NTRK2ACSL1HDAC1HDAC8
SCHEMBL7244672 0.79 F2 (0.47) NTRK1NTRK2HDAC1HDAC8NPC1
Hydrochloric Acid SCHEMBL7244675 0.79 F2 (0.49) NTRK1NTRK2ACSL1HDAC1HDAC8
SCHEMBL6159720 0.77 ITK (0.46) NTRK1NTRK2HDAC1HDAC8NPC1
SCHEMBL6157976 0.77 NPC1 (0.59) NTRK1NTRK2ACSL1HDAC1HDAC8
SCHEMBL7163037 0.76 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6158462 0.76 NTRK1 (0.52) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL6159112 0.75 NPC1 (0.41) NTRK1NTRK2HDAC1HDAC8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
WO-2003024451-A1 2-(2-PHENYLETHYL)-BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 WO disclosed
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed