SCHEMBL1581807

SCHEMBL1581807

CCCCc1ccc(-c2ccc(C3(O)CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.58
RARB P10826 6/20 0.50
OPRM1 P35372 4/20 0.48
OPRD1 P41143 4/20 0.48
OPRK1 P41145 4/20 0.48
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR3 P51677 1/20 0.43
DRD2 P14416 3/20 0.42
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL23236442 0.84 OPRL1 (0.51) OPRL1RARBOPRM1OPRD1OPRK1
SCHEMBL5452293 0.80 FAAH (0.50) OPRL1RARBOPRM1OPRD1OPRK1
SCHEMBL1581749 0.79 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1581964 0.78 KMT2A (0.52) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL1581499 0.76 MEN1 (0.58) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1581427 0.76 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL15020023 0.76 DRD2 (0.53) RARBALDH1A1MEN1KMT2AHPGD
SCHEMBL1581919 0.76 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL18910997 0.76 OPRL1 (0.58) OPRL1RARBOPRM1OPRD1OPRK1
SCHEMBL945210 0.75 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1SIGMAR1

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