SCHEMBL27730698

SCHEMBL27730698

Cc1cc(-c2c(C)nc(-c3ccccc3Cc3ccccc3)n(CCc3ccccc3)c2=O)sc1C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.55
NR1I2 O75469 5/20 0.53

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
SCHEMBL27751195 0.87 CASR (0.52) CASRNR1I2
SCHEMBL4135191 0.87 CASR (0.66) CASRNR1I2
SCHEMBL27751157 0.87 CASR (0.69) CASRNR1I2
SCHEMBL4147810 0.84 CASR (0.56) CASRNR1I2
SCHEMBL27751255 0.84 CASR (0.51) CASRNR1I2
SCHEMBL4142534 0.83 CASR (0.78) CASRNR1I2
SCHEMBL27730637 0.80 CASR (0.48) CASRNR1I2
SCHEMBL27730712 0.79 CASR (0.54) CASRNR1I2
SCHEMBL27730611 0.79 CASR (0.56) CASRNR1I2
SCHEMBL27730770 0.79 CASR (0.59) 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