SCHEMBL27730593

SCHEMBL27730593

Cc1nc(-c2cccc(F)c2Cc2ccccc2)n(CCc2ccccc2)c(=O)c1-c1ccc(Cl)s1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.66
NR1I2 O75469 5/20 0.66
GNRHR P30968 1/20 0.44

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
SCHEMBL4158412 0.88 CASR (0.84) CASRNR1I2
SCHEMBL4150118 0.85 CASR (0.63) CASRNR1I2GNRHR
SCHEMBL28777976 0.81 CASR (0.68) CASRNR1I2
SCHEMBL27751206 0.81 CASR (0.68) CASRNR1I2
SCHEMBL27751132 0.80 CASR (0.64) CASRNR1I2
SCHEMBL3344867 0.79 CASR (1.00) CASRNR1I2
SCHEMBL4148822 0.79 CASR (1.00) CASRNR1I2
SCHEMBL3421382 0.77 CASR (0.82) CASRNR1I2
SCHEMBL27751157 0.77 CASR (0.69) CASRNR1I2
SCHEMBL3344800 0.76 CASR (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 CN disclosed