SCHEMBL21765089

SCHEMBL21765089

Cc1cnc(N2CC3(CCN([C@H](C)c4ccc5scnc5c4)CC3)NC2=O)nc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGA O60502 13/20 0.52
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
CRBN Q96SW2 2/20 0.36
DDB1 Q16531 1/20 0.36

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
SCHEMBL21765088 1.00 OGA (0.52) OGAOPRM1OPRL1PIK3CAMTOR
SCHEMBL21765140 0.91 OGA (0.48) OGAOPRM1OPRL1CRBNDDB1
SCHEMBL21765092 0.91 OGA (0.48) OGAOPRM1OPRL1CRBNDDB1
SCHEMBL21765091 0.91 OGA (0.48) OGAOPRM1OPRL1CRBNDDB1
SCHEMBL21764871 0.89 OGA (0.60) OGAOPRM1OPRL1PIK3CAMTOR
SCHEMBL21764878 0.89 OGA (0.60) OGAOPRM1OPRL1PIK3CAMTOR
SCHEMBL21764867 0.89 OGA (0.60) OGAOPRM1OPRL1PIK3CAMTOR
SCHEMBL21765227 0.89 OGA (0.50) OGAOPRM1OPRL1PIK3CAMTOR
SCHEMBL23625427 0.88 OGA (0.70) OGAOPRM1OPRL1PIK3CAMTOR
SCHEMBL23625389 0.88 OGA (0.70) OGAOPRM1OPRL1PIK3CAMTOR

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