SCHEMBL21753334

SCHEMBL21753334

N#Cc1ccc(N2CC3(CCN(C(=O)O)CC3)NC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.58
OPRM1 P35372 14/20 0.58
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ACACA Q13085 1/20 0.41
CYP2D6 P10635 1/20 0.39
DDR1 Q08345 1/20 0.38

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
SCHEMBL21753312 0.83 ITGB3 (0.51) OPRL1OPRM1ITGB3ITGA2B
SCHEMBL21765294 0.83 OPRM1 (0.52) OPRL1OPRM1ITGB3ITGA2BACACA
SCHEMBL18319571 0.79 OPRL1 (0.64) OPRL1OPRM1ITGB3ITGA2BACACA
SCHEMBL21753321 0.78 ITGB3 (0.48) ITGB3ITGA2BCYP2D6DDR1
SCHEMBL21753280 0.78 ACACA (0.56) ITGB3ITGA2BACACACYP2D6
SCHEMBL6620291 0.77 SSTR5 (0.49) OPRM1
SCHEMBL18319113 0.75 OPRL1 (0.52) OPRL1OPRM1ITGB3ITGA2BACACA
SCHEMBL21753291 0.75 OPRL1 (0.55) OPRL1OPRM1ITGB3ITGA2B
SCHEMBL19095050 0.74 OPRL1 (1.00) OPRL1OPRM1
SCHEMBL19105953 0.74 OPRL1 (1.00) OPRL1OPRM1

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
WO-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed