SCHEMBL1581749

SCHEMBL1581749

Cc1ccc(-c2ccc(C3(O)CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.51
▸ OPRK1 P41145 4/20 0.51
▸ OPRL1 P41146 4/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ CYP46A1 Q9Y6A2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5371705 0.95 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1CYP46A1
SCHEMBL1581499 0.84 MEN1 (0.58) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581427 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581919 0.84 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581880 0.81 OPRL1 (0.50) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL1581964 0.80 KMT2A (0.52) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL795975 0.80 ALDH1A1 (0.56) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL1581993 0.80 MEN1 (0.44) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL1581807 0.79 OPRL1 (0.58) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL4725181 0.79 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2

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-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 — — EP disclosed
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