SCHEMBL1383373

SCHEMBL1383373

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.55
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
THRB P10828 1/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
CCR5 P51681 1/20 0.38
CNR2 P34972 1/20 0.37
ACACB O00763 1/20 0.37
RXFP1 Q9HBX9 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 0.91 CASR (0.59) CASRTHRBRXFP1
SCHEMBL1386100 0.90 CASR (0.56) CASRTHRBRXFP1
SCHEMBL1385847 0.89 CASR (0.55) CASRSIGMAR1TMEM97THRB
SCHEMBL1386625 0.87 CASR (0.59) CASRSIGMAR1THRB
SCHEMBL1385344 0.84 CASR (0.54) CASRTHRBRXFP1
SCHEMBL1383335 0.84 CASR (0.54) CASRTHRBRXFP1
SCHEMBL1383579 0.83 CASR (0.55) CASRTHRBRXFP1
SCHEMBL1384253 0.82 CASR (0.51) CASRTHRB
SCHEMBL1383223 0.79 CASR (0.48) CASRSIGMAR1TMEM97
SCHEMBL3945754 0.78 CASR (0.41) CASRSIGMAR1TMEM97NTRK1NTRK3

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