SCHEMBL11258623

SCHEMBL11258623

C[N+]1([O-])CCC(Oc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 9/20 0.36
▸ OPRM1 P35372 8/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ OPRD1 P41143 2/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ APOBEC3A P31941 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL11271136 0.83 OPRM1 (0.33) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10605630 0.76 DRD3 (0.37) OPRL1OPRM1OPRK1OPRD1GAA
SCHEMBL11266397 0.73 MAOA (0.36) OPRL1OPRM1OPRK1APOBEC3AAPOBEC3G
SCHEMBL30516777 0.73 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1CHRM3
SCHEMBL11155552 0.72 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1CHRM3
SCHEMBL11150638 0.72 OPRM1 (0.53) OPRM1
Hydrochloric Acid SCHEMBL11153301 0.71 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1CHRM3
SCHEMBL11260236 0.70 ALDH1A1 (0.38) GAAHTT
SCHEMBL11157863 0.69 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11155466 0.66 CYP2D6 (0.52) OPRL1OPRM1OPRK1OPRD1CYP1A2

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-4333942-A Anti-depressant and analgesic 4-phenoxypiperidines BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-08 — — US disclosed
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