SCHEMBL11867760

SCHEMBL11867760

CN1CCC2(CC1)OC(c1ccccc1)c1ccc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 3/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ OPRD1 P41143 6/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ OPRM1 P35372 6/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PRCP P42785 1/20 0.39

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
SCHEMBL11853736 0.90 DRD1 (0.49) DRD1HTR2AOPRD1KCNH2OPRM1
SCHEMBL11858464 0.85 OPRD1 (0.47) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11682895 0.84 KCNH2 (0.57) HTR2AOPRD1KCNH2OPRM1OPRK1
SCHEMBL11849731 0.83 OPRD1 (0.41) OPRD1KCNH2OPRM1OPRK1SIGMAR1
SCHEMBL11783954 0.82 DRD2 (0.41) DRD1OPRD1KCNH2OPRM1SIGMAR1
SCHEMBL11681807 0.82 PRCP (0.48) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11782429 0.82 OPRD1 (0.41) OPRD1KCNH2OPRM1OPRK1SIGMAR1
SCHEMBL11854306 0.77 PRCP (0.41) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11851978 0.76 KCNH2 (0.52) HTR2AOPRD1KCNH2OPRM1OPRK1
SCHEMBL11882596 0.75 OPRD1 (0.37) OPRD1KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 — — US disclosed
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