SCHEMBL15080540

SCHEMBL15080540

COC(=O)c1nc2ccccc2n([C@H]2C[C@H]3CC[C@@H](C2)N3C2CCCCCCCCCCC2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 19/20 0.80
OPRM1 P35372 18/20 0.80
OPRK1 P41145 18/20 0.80
OPRD1 P41143 15/20 0.80
OPRL1 P41146 3/20 0.77

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
SCHEMBL15080548 1.00 OGFRL1 (0.80) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL13221689 0.89 OPRM1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854102 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853495 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854101 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853427 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL15080533 0.89 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852588 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852634 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852474 0.89 OGFRL1 (1.00) 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-8476271-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2013-07-02 US disclosed