SCHEMBL1385344

SCHEMBL1385344

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.54
THRB P10828 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
PDK1 Q15118 1/20 0.39
APP P05067 4/20 0.38
CSF1R P07333 1/20 0.36

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
SCHEMBL1385867 0.92 CASR (0.59) CASRTHRBRXFP1APP
SCHEMBL1383335 0.92 CASR (0.54) CASRTHRBRXFP1
SCHEMBL1383579 0.91 CASR (0.55) CASRTHRBRXFP1
SCHEMBL1386100 0.91 CASR (0.56) CASRTHRBRXFP1PDK1APP
SCHEMBL1383132 0.90 CASR (0.47) CASRPDK1APP
SCHEMBL1385726 0.90 CASR (0.46) CASRTHRBRXFP1PDK1APP
SCHEMBL1384720 0.90 CASR (0.46) CASRPDK1APP
SCHEMBL1386946 0.90 CASR (0.46) CASRAPP
SCHEMBL1385543 0.88 CASR (0.54) CASR
SCHEMBL1386251 0.88 CASR (0.46) CASRTHRBRXFP1PDK1APP

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