SCHEMBL21548113

SCHEMBL21548113

O=C(NO)c1nc2ccccc2n([C@H]2CC3CC[C@@H](C2)N3C2CCCCCCC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 1.00
OPRK1 P41145 19/20 1.00
OGFRL1 Q5TC84 19/20 1.00
OPRD1 P41143 17/20 0.78
OPRL1 P41146 3/20 0.78

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
SCHEMBL852647 1.00 OPRM1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852648 1.00 OPRM1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL18250959 0.88 OPRM1 (0.79) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL853325 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL880613 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852557 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852556 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL853613 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL853614 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852535 0.88 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1

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-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed