SCHEMBL8314573

SCHEMBL8314573

Clc1ccc(C(=C2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.58
OPRM1 P35372 12/20 0.58
OPRK1 P41145 5/20 0.58
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KCNH2 Q12809 3/20 0.44
SETD7 Q8WTS6 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
ABCB11 O95342 1/20 0.42

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
SCHEMBL10460871 0.93 OPRD1 (0.65) OPRD1OPRM1OPRK1CES2CES1
Bromide SCHEMBL10461679 0.89 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2HTR2A
SCHEMBL2457390 0.89 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2SETD7
Hydrochloric Acid SCHEMBL7647391 0.87 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2SETD7
Bromide SCHEMBL10598951 0.87 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL8313290 0.85 OPRM1 (0.49) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL9434960 0.84 OPRD1 (0.57) OPRD1OPRM1OPRK1CES2KCNH2
SCHEMBL8316576 0.82 OPRD1 (0.60) OPRD1OPRM1OPRK1CES2CES1
SCHEMBL8314711 0.82 OPRD1 (0.58) OPRD1OPRM1OPRK1KCNH2SETD7
Hydrochloric Acid SCHEMBL10600734 0.81 OPRD1 (0.57) OPRD1OPRM1OPRK1KCNH2SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN claimed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 CN disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed
CN-1066849-A Three ring triazolo derivatives, its Manufacturing approach and use TORAY INDUSTRIES (JP) 1992-12-09 CN disclosed
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN disclosed