SCHEMBL8313311

SCHEMBL8313311

c1ccc(C(=C2CCNC2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
OPRD1 P41143 5/20 0.50
OPRK1 P41145 2/20 0.50
KCNH2 Q12809 2/20 0.46
SETD7 Q8WTS6 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR3A P46098 1/20 0.46
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
MAOB P27338 1/20 0.43
HTR2C P28335 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL23848294 0.88 SETD7 (0.43) OPRM1OPRD1OPRK1KCNH2SETD7
SCHEMBL2457390 0.87 OPRD1 (0.61) OPRM1OPRD1OPRK1KCNH2SETD7
Hydrochloric Acid SCHEMBL8983767 0.86 SETD7 (0.42) OPRM1OPRD1OPRK1KCNH2SETD7
SCHEMBL3662638 0.85 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2SETD7
SCHEMBL3662643 0.85 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2SETD7
Hydrochloric Acid SCHEMBL7647391 0.85 OPRD1 (0.59) OPRM1OPRD1OPRK1KCNH2SETD7
Bromide SCHEMBL10598951 0.85 OPRD1 (0.59) OPRM1OPRD1OPRK1KCNH2SETD7
SCHEMBL21381596 0.82 LMNA (0.47) OPRM1OPRD1OPRK1KCNH2SETD7
SCHEMBL25501915 0.79 OPRM1 (0.42) OPRM1OPRD1OPRK1KCNH2SETD7
SCHEMBL9434960 0.79 OPRD1 (0.57) OPRM1OPRD1OPRK1KCNH2SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed