SCHEMBL8315004

SCHEMBL8315004

Cc1ccc(C(=C2CCN(CCCCl)CC2)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
PSMB1 P20618 2/20 0.43
PSMB5 P28074 2/20 0.43
PSMB2 P49721 2/20 0.43
SETD7 Q8WTS6 1/20 0.42
P2RX7 Q99572 1/20 0.41
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNA5 P22460 1/20 0.37
HTR7 P34969 1/20 0.37

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 0.94 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL9253379 0.84 SETD7 (0.57) OPRD1OPRM1OPRK1PSMB1PSMB5
SCHEMBL8318385 0.84 OPRD1 (0.47) OPRD1OPRM1OPRK1PSMB1PSMB5
SCHEMBL8317082 0.83 OPRD1 (0.49) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316876 0.81 OPRD1 (0.53) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316991 0.80 OPRM1 (0.52) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316856 0.80 OPRM1 (0.52) OPRD1OPRM1OPRK1PSMB1PSMB5
SCHEMBL8312303 0.80 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8317854 0.78 CYP2D6 (0.46)
SCHEMBL8311551 0.78 CYP2D6 (0.42) 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