SCHEMBL11297107

SCHEMBL11297107

CCC(c1ccccc1)N1CCC(NC(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ OPRL1 P41146 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CCR1 P32246 1/20 0.43

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
SCHEMBL25474471 0.84 TEAD1 (0.55) KMT2AEPHX2
SCHEMBL19613180 0.83 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613178 0.83 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613179 0.83 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613987 0.83 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613986 0.83 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL28543009 0.78 TSHR (0.56) ALDH1A1DRD4KMT2ATSHRCYP3A4
SCHEMBL19633997 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1BRD4
SCHEMBL9594799 0.78 LTA4H (0.52) LTA4HDRD2DRD3KMT2ACCR1
SCHEMBL22590200 0.77 BACE1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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
EP-0052311-A1 1-((Benzoylphenyl) - lower-alkyl) piperidines and carbinol analogs and preparation thereof STERLING DRUG INC. (US) 1982-05-26 — — EP disclosed
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