SCHEMBL1386100

SCHEMBL1386100

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(O)cc2)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.56
THRB P10828 2/20 0.43
PDK1 Q15118 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38
APP P05067 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
RIPK1 Q13546 2/20 0.36
ACKR3 P25106 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
SCHEMBL1385867 0.94 CASR (0.59) CASRTHRBRXFP1APPRIPK1
SCHEMBL1385847 0.92 CASR (0.55) CASRTHRBRIPK1
SCHEMBL1386625 0.91 CASR (0.59) CASRTHRBRIPK1
SCHEMBL1385344 0.91 CASR (0.54) CASRTHRBPDK1RXFP1APP
SCHEMBL1383373 0.90 CASR (0.55) CASRTHRBRXFP1
SCHEMBL1383335 0.87 CASR (0.54) CASRTHRBRXFP1RIPK1
SCHEMBL1383579 0.86 CASR (0.55) CASRTHRBRXFP1ACKR3
SCHEMBL1384253 0.85 CASR (0.51) CASRTHRB
SCHEMBL1383223 0.81 CASR (0.48) CASRRIPK1
SCHEMBL1383132 0.81 CASR (0.47) CASRPDK1APP

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