SCHEMBL1385867

SCHEMBL1385867

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.59
THRB P10828 2/20 0.45
RXFP1 Q9HBX9 3/20 0.41
RIPK1 Q13546 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1386100 0.94 CASR (0.56) CASRTHRBRXFP1RIPK1APP
SCHEMBL1385847 0.94 CASR (0.55) CASRTHRBRIPK1
SCHEMBL1385344 0.92 CASR (0.54) CASRTHRBRXFP1APP
SCHEMBL1383335 0.92 CASR (0.54) CASRTHRBRXFP1RIPK1
SCHEMBL1386625 0.92 CASR (0.59) CASRTHRBRIPK1MAPT
SCHEMBL1383373 0.91 CASR (0.55) CASRTHRBRXFP1
SCHEMBL1383579 0.91 CASR (0.55) CASRTHRBRXFP1
SCHEMBL1384253 0.87 CASR (0.51) CASRTHRBKDM4EALDH1A1HTT
SCHEMBL1384191 0.85 CASR (0.55) CASRTHRBRXFP1ALDH1A1MAPT
SCHEMBL1383223 0.83 CASR (0.48) CASRRIPK1MAPT

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