SCHEMBL21548044

SCHEMBL21548044

CCCC(CC(C)n1c(=O)c(C(=O)O)nc2ccccc21)NC1CCCCCCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 18/20 0.49
OPRM1 P35372 14/20 0.49
OPRK1 P41145 14/20 0.49
OPRD1 P41143 11/20 0.49
NR1H4 Q96RI1 2/20 0.44
OPRL1 P41146 2/20 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
SCHEMBL21548047 1.00 OGFRL1 (0.49) OGFRL1OPRM1OPRK1OPRD1NR1H4
SCHEMBL10285467 0.80 OGFRL1 (0.50) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL22225553 0.80 OGFRL1 (0.51) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL16382145 0.76 OGFRL1 (0.59) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL20206668 0.76 ALDH1A1 (0.53) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL19861061 0.76 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1NR1H4
SCHEMBL22225559 0.74 OGFRL1 (0.51) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21547991 0.73 OGFRL1 (0.45) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL13904386 0.73 OGFRL1 (0.54) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16382068 0.72 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1OPRL1

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-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed