SCHEMBL5797672

SCHEMBL5797672

COc1c(F)cccc1-c1nc(C)c(C(C)C)c(=O)n1CCc1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.72
NR1I2 O75469 5/20 0.45
GNRHR P30968 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
SCHEMBL3382473 0.88 CASR (0.76) CASRNR1I2
SCHEMBL3382240 0.83 CASR (1.00) CASR
SCHEMBL4439206 0.83 CASR (0.52) CASRNR1I2
SCHEMBL5822471 0.80 CASR (0.73) CASRNR1I2
SCHEMBL5796090 0.80 CASR (0.73) CASRNR1I2
SCHEMBL5798839 0.79 CASR (0.71) CASRNR1I2
SCHEMBL5798841 0.79 CASR (0.71) CASRNR1I2
SCHEMBL5823507 0.79 CASR (0.71) CASRNR1I2
SCHEMBL5823509 0.79 CASR (0.71) CASRNR1I2
SCHEMBL5796763 0.79 CASR (0.70) 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 2 patents. 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 claimed
WO-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed