SCHEMBL5797665

SCHEMBL5797665

Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1CC(C)C

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.79
NR1I2 O75469 1/20 0.55

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
SCHEMBL4143882 0.90 CASR (0.67) CASRNR1I2
SCHEMBL3379049 0.89 CASR (0.87) CASRNR1I2
SCHEMBL2833039 0.89 CASR (0.78) CASRNR1I2
SCHEMBL5798847 0.89 CASR (0.62) CASRNR1I2
SCHEMBL3382006 0.88 CASR (1.00) CASRNR1I2
SCHEMBL4142937 0.86 CASR (0.64) CASRNR1I2
SCHEMBL3382240 0.86 CASR (1.00) CASR
SCHEMBL3383171 0.86 CASR (1.00) CASR
SCHEMBL5798797 0.85 CASR (0.58) CASRNR1I2
SCHEMBL5799676 0.85 CASR (0.58) CASRNR1I2

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-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed