SCHEMBL3418557

SCHEMBL3418557

Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1cc(-c2nnc(CO)o2)cs1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.66
CASR P41180 19/20 0.63

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
SCHEMBL3418288 0.92 CASR (0.66) NR1I2CASR
SCHEMBL3421350 0.90 NR1I2 (0.63) NR1I2CASR
SCHEMBL3419476 0.89 NR1I2 (0.54) NR1I2CASR
SCHEMBL3419777 0.86 CASR (0.65) NR1I2CASR
SCHEMBL3345032 0.84 CASR (0.77) NR1I2CASR
SCHEMBL3421665 0.84 CASR (0.68) NR1I2CASR
SCHEMBL3343969 0.84 CASR (0.71) NR1I2CASR
SCHEMBL4135834 0.83 CASR (0.75) NR1I2CASR
SCHEMBL3421309 0.83 CASR (0.69) NR1I2CASR
SCHEMBL3348585 0.83 CASR (0.69) NR1I2CASR

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-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO claimed
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed