SCHEMBL3345091

SCHEMBL3345091

Cc1cccc(-c2ccc(-c3c(C)nc(-c4cccc(F)c4O)n(CCc4ccccc4)c3=O)s2)n1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.84
NR1I2 O75469 6/20 0.84

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
SCHEMBL4148822 0.92 CASR (1.00) CASRNR1I2
SCHEMBL3344867 0.91 CASR (1.00) CASRNR1I2
SCHEMBL3351098 0.90 CASR (1.00) CASRNR1I2
SCHEMBL3413025 0.89 CASR (0.80) CASRNR1I2
SCHEMBL3344463 0.88 CASR (0.87) CASRNR1I2
SCHEMBL3345977 0.88 CASR (0.90) CASRNR1I2
SCHEMBL4158412 0.88 CASR (0.84) CASRNR1I2
SCHEMBL3344859 0.88 CASR (0.85) CASRNR1I2
SCHEMBL3417758 0.88 CASR (0.79) CASRNR1I2
SCHEMBL3420512 0.88 CASR (0.79) 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