SCHEMBL1383385

SCHEMBL1383385

CN(C)c1ncc(C(=O)NCCC(F)c2cccc(OCc3ccccc3)c2)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.49
ALOX5 P09917 2/20 0.41
THRB P10828 2/20 0.40
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1383842 0.84 ALOX5 (0.42) CASRALOX5
SCHEMBL1386123 0.83 CASR (0.41) CASRALOX5SPHK2SPHK1
SCHEMBL1386007 0.81 MEN1 (0.42) CASRSPHK2SPHK1
SCHEMBL3942434 0.79 ALOX5 (0.41) ALOX5
SCHEMBL1383618 0.78 ALOX5 (0.47) ALOX5
SCHEMBL1386105 0.73 MEN1 (0.47) CASRRXFP1
SCHEMBL1386672 0.73 KMT2A (0.43) CASRTHRB
SCHEMBL3941835 0.73 ALOX5 (0.46) ALOX5
SCHEMBL1385344 0.73 CASR (0.54) CASRTHRBRXFP1
SCHEMBL1385867 0.73 CASR (0.59) CASRTHRBRXFP1

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
JP-4825686-B2 2011-11-30 JP claimed