SCHEMBL8317082

SCHEMBL8317082

Cc1cccc(C(=C2CCN(CCCCl)CC2)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
SETD7 Q8WTS6 1/20 0.49
P2RX7 Q99572 1/20 0.46
KCNH2 Q12809 2/20 0.43
HTR7 P34969 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 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
SCHEMBL8314872 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL9253379 0.88 SETD7 (0.57) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8314768 0.86 OPRM1 (0.47) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8312626 0.84 DRD4 (0.47) OPRD1OPRM1OPRK1SETD7KDM4E
SCHEMBL8315004 0.83 OPRD1 (0.47) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8317597 0.82 OPRM1 (0.49) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316876 0.82 OPRD1 (0.53) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8315369 0.82 MEN1 (0.44) OPRD1OPRM1OPRK1P2RX7KCNH2
SCHEMBL8315432 0.81 OPRM1 (0.48) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316991 0.81 OPRM1 (0.52) OPRD1OPRM1OPRK1SETD7P2RX7

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