SCHEMBL3343969

SCHEMBL3343969

Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1cc(-c2ncccn2)cs1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.71
NR1I2 O75469 5/20 0.71

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
SCHEMBL31277079 0.93 CASR (0.77) CASRNR1I2
SCHEMBL3345032 0.93 CASR (0.77) CASRNR1I2
SCHEMBL3418565 0.89 CASR (0.66) CASRNR1I2
SCHEMBL3421665 0.89 CASR (0.68) CASRNR1I2
SCHEMBL4135834 0.88 CASR (0.75) CASRNR1I2
SCHEMBL3421309 0.88 CASR (0.69) CASRNR1I2
SCHEMBL3348585 0.88 CASR (0.69) CASRNR1I2
SCHEMBL3421562 0.87 CASR (0.68) CASRNR1I2
SCHEMBL3344463 0.86 CASR (0.87) CASRNR1I2
SCHEMBL3418288 0.85 CASR (0.66) 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-2010039922-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO claimed
WO-2010039922-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
WO-2010039922-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed