SCHEMBL880342

SCHEMBL880342

O=c1c(N2CC[C@H](I)C2)nc2ccccc2n1C1CC2CCC[C@@H](C1)N2C1CCCCCCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.75
OPRM1 P35372 19/20 0.75
OPRK1 P41145 19/20 0.75
OPRD1 P41143 13/20 0.75

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
SCHEMBL852918 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL22114404 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852919 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21547966 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21547950 0.85 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15004391 0.82 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15004503 0.82 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561629 0.82 OGFRL1 (0.72) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3058432 0.81 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853022 0.81 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed