SCHEMBL19861069

SCHEMBL19861069

CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@@H](C3)C2)c1=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.73
OPRK1 P41145 16/20 0.73
OPRM1 P35372 15/20 0.73
OPRD1 P41143 12/20 0.73
OPRL1 P41146 3/20 0.58

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
SCHEMBL852336 0.90 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL17807893 0.90 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853928 0.90 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853471 0.90 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852623 0.90 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL12345485 0.90 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL880394 0.90 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853472 0.90 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852337 0.90 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL880510 0.87 OGFRL1 (0.71) OGFRL1OPRK1OPRM1OPRD1OPRL1

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