SCHEMBL25089930

SCHEMBL25089930

Cn1c(=O)c2c(nc(-c3ccsc3)n2C)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.65
ADORA2A P29274 3/20 0.65
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.47
HPGD P15428 1/20 0.46
PORCN Q9H237 1/20 0.46

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
SCHEMBL593805 0.79 ADORA2B (0.77) ADORA2BADORA2AMAOBHPGD
SCHEMBL4146728 0.79 ADORA2B (1.00) ADORA2BADORA2AMAOBMAOAHPGD
SCHEMBL2403877 0.78 ADORA2B (0.69) ADORA2BADORA2AMAOB
SCHEMBL1347557 0.77 ADORA2A (0.73) ADORA2BADORA2AMAOBMAOAHPGD
SCHEMBL593636 0.76 ADORA2B (0.68) ADORA2BADORA2AMAOBMAOA
SCHEMBL9258181 0.74 ADORA2B (0.61) ADORA2BADORA2AMAOBMAOA
SCHEMBL25090526 0.74 MAOB (0.67) ADORA2BADORA2AMAOBMAOAHPGD
SCHEMBL12257991 0.74 ADORA2B (0.48) ADORA2BADORA2AHPGD
SCHEMBL25090486 0.73 ADORA2B (0.68) ADORA2BADORA2AMAOBHPGD
SCHEMBL14907911 0.73 ADORA2B (0.63) ADORA2BADORA2AMAOBMAOA

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-2023023867-A1 COMPOUNDS FOR REDUCING CHOLESTEROL AND TREATING LIVER AND KIDNEY DISEASE MCMASTER UNIVERSITY (CA) 2023-03-02 WO disclosed