SCHEMBL5310559

SCHEMBL5310559

Cc1nn(CCc2ccccc2)c(=O)c(CCc2ccccc2)c1-c1cccc(F)c1O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.57
NR1I2 O75469 6/20 0.57
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
SCHEMBL5311242 0.91 CASR (0.49) CASRNR1I2GNRHR
SCHEMBL5313138 0.85 CASR (0.53) CASRNR1I2
SCHEMBL5310430 0.85 CASR (0.43) CASRNR1I2GNRHR
SCHEMBL5311483 0.84 CASR (0.48) CASRNR1I2
SCHEMBL5308152 0.84 CASR (0.58) CASRNR1I2
SCHEMBL5309367 0.83 CASR (0.46) CASRNR1I2
SCHEMBL5310573 0.78 CASR (0.54) CASRNR1I2
SCHEMBL5310117 0.78 CASR (0.45) CASRNR1I2
SCHEMBL5316086 0.77 CASR (0.41) CASRNR1I2GNRHR
SCHEMBL5309858 0.76 CASR (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO claimed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed