SCHEMBL8318385

SCHEMBL8318385

CN(C)c1ccc(C(=C2CCN(CCCCl)CC2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.47
OPRM1 P35372 5/20 0.47
OPRK1 P41145 4/20 0.47
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40
SETD7 Q8WTS6 1/20 0.40
DRD2 P14416 4/20 0.39
P2RX7 Q99572 1/20 0.39
DRD3 P35462 3/20 0.38
DRD4 P21917 2/20 0.38
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL8312303 0.95 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7DRD2
SCHEMBL8315004 0.84 OPRD1 (0.47) OPRD1OPRM1OPRK1PSMB1PSMB5
SCHEMBL9253379 0.81 SETD7 (0.57) OPRD1OPRM1OPRK1PSMB1PSMB5
SCHEMBL8314872 0.80 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL11546026 0.79 OPRD1 (0.57) OPRD1OPRM1OPRK1DRD2DRD3
SCHEMBL8316876 0.78 OPRD1 (0.53) OPRD1OPRM1OPRK1SETD7DRD2
SCHEMBL11859424 0.77 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7DRD2
SCHEMBL8316991 0.77 OPRM1 (0.52) OPRD1OPRM1OPRK1SETD7DRD2
SCHEMBL8316856 0.76 OPRM1 (0.52) OPRD1OPRM1OPRK1PSMB1PSMB5
Hydrochloric Acid SCHEMBL11862454 0.76 OPRD1 (0.49) 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 2 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