SCHEMBL18240331

SCHEMBL18240331

C[C@@H]1C[C@@H]2C[C@H](C1)C[C@H](N1[C@@H]3CCC[C@H]1C[C@H](n1c(=O)c(Cl)nc4ccccc41)C3)C2

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 18/20 0.74
OPRM1 P35372 14/20 0.74
OPRK1 P41145 14/20 0.74
OPRD1 P41143 11/20 0.74
OPRL1 P41146 7/20 0.74

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
SCHEMBL15680038 1.00 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL18645858 1.00 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL18645850 0.93 OGFRL1 (0.63) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL15004422 0.91 OGFRL1 (0.72) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16368995 0.90 OGFRL1 (0.70) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16917792 0.90 OGFRL1 (0.70) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16368977 0.86 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL15004457 0.86 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL18240337 0.86 OPRM1 (0.70) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL18240336 0.86 OPRM1 (0.70) 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-2654751-B1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-11-23 EP disclosed