SCHEMBL22887948

SCHEMBL22887948

NC(=O)c1cc(C2(O)CCCC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.48

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
SCHEMBL19659613 0.97 OPRM1 (0.48) OPRM1
SCHEMBL30587637 0.85 KDM4E (0.49) OPRM1
SCHEMBL18366625 0.85 KDM4E (0.49) OPRM1
SCHEMBL19658681 0.84 KDM5A (0.35) OPRM1
SCHEMBL18366620 0.82 KDM4E (0.49) OPRM1
SCHEMBL30587476 0.80 ALDH1A1 (0.43) OPRM1
SCHEMBL18366624 0.80 ALDH1A1 (0.43) OPRM1
SCHEMBL18366619 0.77 ALDH1A1 (0.43) OPRM1
SCHEMBL18366622 0.73 CYP17A1 (0.42)
SCHEMBL30587514 0.73 CYP17A1 (0.42)

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-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed