SCHEMBL27730643

SCHEMBL27730643

Cc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1-c1cccc(CN)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.66
NR1I2 O75469 2/20 0.55

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
SCHEMBL4151816 0.90 CASR (0.69) CASRNR1I2
SCHEMBL4148803 0.89 CASR (0.78) CASRNR1I2
SCHEMBL4151248 0.88 CASR (0.73) CASRNR1I2
SCHEMBL4145017 0.87 CASR (0.74) CASRNR1I2
SCHEMBL4142909 0.85 CASR (0.62) CASRNR1I2
SCHEMBL4139361 0.82 CASR (0.67) CASRNR1I2
SCHEMBL4142918 0.82 CASR (0.64) CASRNR1I2
SCHEMBL4143034 0.82 CASR (0.70) CASRNR1I2
SCHEMBL4150647 0.82 CASR (0.66) CASRNR1I2
SCHEMBL4143218 0.81 CASR (0.69) 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