SCHEMBL5309986

SCHEMBL5309986

Cc1nn(Cc2ccccc2Br)c(=O)c(CCc2cccc(F)c2)c1-c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.49
CHRM1 P11229 1/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL5310145 0.91 CASR (0.51) CASRCHRM1
SCHEMBL5309926 0.89 CASR (0.49) CASRRXFP1
SCHEMBL5312353 0.89 CASR (0.54) CASRPOLBRXFP1
SCHEMBL5311393 0.88 CASR (0.50) CASRPOLBRXFP1
SCHEMBL5310639 0.88 CASR (0.48) CASR
SCHEMBL14542101 0.88 GNRHR (0.39) CASRCHRM1POLB
SCHEMBL5310910 0.86 CASR (0.52) CASRCHRM1POLBRXFP1
SCHEMBL5310323 0.86 CASR (0.52) CASRCHRM1POLBRXFP1
SCHEMBL5307646 0.85 CASR (0.46) CASRCHRM1POLBRXFP1
SCHEMBL5315669 0.85 CASR (0.46) CASRCHRM1POLB

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
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed