SCHEMBL19861178

SCHEMBL19861178

CCOC(=O)c1nc2ccccc2n([C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1=O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.82
OPRM1 P35372 14/20 0.82
OPRK1 P41145 14/20 0.82
OPRD1 P41143 12/20 0.82
OPRL1 P41146 1/20 0.57

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
SCHEMBL15665154 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853031 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL15665155 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853030 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL17807895 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852304 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853756 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852303 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853755 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853472 0.89 OGFRL1 (0.84) 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
US-9890164-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2018-02-13 US disclosed