SCHEMBL11739541

SCHEMBL11739541

CCC(c1ccccc1)N1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 18/20 0.73
▸ OPRL1 P41146 17/20 0.73
▸ OPRD1 P41143 16/20 0.73
▸ OPRK1 P41145 16/20 0.73
▸ CYP2D6 P10635 1/20 0.60
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ DRD4 P21917 1/20 0.45

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
Hydrochloric Acid SCHEMBL11745286 0.98 OPRM1 (0.71) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL9520650 0.84 OPRL1 (1.00) OPRM1OPRL1OPRD1OPRK1
SCHEMBL2962625 0.82 OPRM1 (0.65) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL7239736 0.80 CYP2D6 (0.64) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL8916036 0.79 CYP1A2 (0.62) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL30363975 0.79 OPRM1 (0.61) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL1964502 0.79 CYP1A2 (0.62) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL30364119 0.79 OPRM1 (0.61) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL8922757 0.78 CYP1A2 (0.66) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL4334322 0.78 CYP1A2 (0.66) OPRM1OPRL1OPRD1OPRK1CYP2D6

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
US-4022786-A PHARMACEUTICALS, CNS STIMULANT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-05-10 — — US disclosed
US-4016280-A 4,4-Diarylpiperidine compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-04-05 — — US disclosed
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