SCHEMBL5314826

SCHEMBL5314826

Cc1nn(C(Cc2ccccc2)c2cnsn2)c(=O)c(CCc2cccc(F)c2)c1-c1cccc(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.41
NR1I2 O75469 6/20 0.38
GNRHR P30968 2/20 0.33

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
SCHEMBL5307649 0.92 CASR (0.43) CASR
SCHEMBL5308905 0.90 GNRHR (0.35) CASRGNRHR
SCHEMBL5310889 0.87 MAOB (0.35) CASRGNRHR
SCHEMBL5307986 0.81 CASR (0.45) CASRNR1I2GNRHR
SCHEMBL5311948 0.79 CASR (0.43) CASR
SCHEMBL5311952 0.76 GNRHR (0.37) CASRGNRHR
SCHEMBL5310667 0.73 CASR (0.42) CASR
SCHEMBL5308386 0.73 CASR (0.54) CASR
SCHEMBL5313085 0.72 CASR (0.51) CASRGNRHR
SCHEMBL5314824 0.71 CASR (0.38) 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-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