SCHEMBL1581919

SCHEMBL1581919

COc1ccc(-c2ccc(C3(O)CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
OPRL1 P41146 3/20 0.56
OPRD1 P41143 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
TET3 O43151 1/20 0.49
FBXL19 Q6PCT2 1/20 0.49
CXXC5 Q7LFL8 1/20 0.49
TET1 Q8NFU7 1/20 0.49
KDM2B Q8NHM5 1/20 0.49
CXXC4 Q9H2H0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49

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
SCHEMBL16874836 0.96 OPRM1 (0.59) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL16874714 0.90 HSD11B1 (0.56) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581964 0.85 KMT2A (0.52) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL8161638 0.84 USP2 (0.67) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581749 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL8319710 0.84 SMN1; SMN2 (0.57) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581921 0.81 KDM4E (0.50) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581427 0.81 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL1581499 0.81 MEN1 (0.58) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL16874757 0.80 OPRM1 (0.48) 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