SCHEMBL28777900

SCHEMBL28777900

Cc1nc(-c2cccc(F)c2Cc2ccccc2)n(CCC2CCCCC2)c(=O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.50
NR1I2 O75469 5/20 0.50
HPGD P15428 1/20 0.36
GNRHR P30968 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NR3C1 P04150 1/20 0.34

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
SCHEMBL4148031 0.85 CASR (0.40) CASRNR1I2HPGDGNRHR
SCHEMBL28777976 0.85 CASR (0.68) CASRNR1I2
SCHEMBL27730648 0.83 CASR (0.46) CASRNR1I2HPGDGNRHRCNR1
SCHEMBL13851706 0.77 CASR (0.39) CASRNR1I2
SCHEMBL4144975 0.74 CASR (0.72) CASRNR1I2
SCHEMBL27751206 0.73 CASR (0.68) CASRNR1I2
SCHEMBL4143340 0.72 CASR (0.76) CASRNR1I2
SCHEMBL28774588 0.71 CASR (0.57) CASRNR1I2
SCHEMBL27751132 0.71 CASR (0.64) CASRNR1I2
SCHEMBL4145492 0.70 CASR (0.51) CASRNR1I2GNRHRCNR1CNR2

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