SCHEMBL6165590

SCHEMBL6165590

N#Cc1ccc(CNCCCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.64
BCHE P06276 2/20 0.61
MAOA P21397 1/20 0.55
SCN8A Q9UQD0 1/20 0.55
OPRM1 P35372 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
CHRM2 P08172 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL11883482 0.86 SIGMAR1 (0.84) SIGMAR1BCHEMAOACHRM2GAA
SCHEMBL8897410 0.84 LOXL2 (0.61) BCHEMAOASCN8AOPRM1CA12
SCHEMBL4065566 0.84 SIGMAR1 (0.88) SIGMAR1BCHEMAOACHRM2GAA
SCHEMBL6957742 0.82 MAOB (0.61) SIGMAR1MAOAOPRM1MAPT
Bromide SCHEMBL11691228 0.82 SIGMAR1 (0.84) SIGMAR1BCHEMAOACHRM2GAA
SCHEMBL580076 0.82 OPRM1 (0.73) BCHEOPRM1CA12CA1CA2
SCHEMBL6959119 0.81 TSHR (0.62) SIGMAR1MAOAMAPT
SCHEMBL6953471 0.81 TSHR (0.62) SIGMAR1MAOAMAPT
SCHEMBL29912750 0.80 LOXL2 (0.65) MAOASCN8AOPRM1CA12CA1
SCHEMBL12626714 0.80 SIGMAR1 (0.58) SIGMAR1BCHEMAOACHRM2GAA

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
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US 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