SCHEMBL1383223

SCHEMBL1383223

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(Cl)cc2)c(-c2ccccc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.48
RIPK1 Q13546 10/20 0.41
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1385847 0.89 CASR (0.55) CASRRIPK1TMEM97SIGMAR1
SCHEMBL1385867 0.83 CASR (0.59) CASRRIPK1MAPT
SCHEMBL1385738 0.83 CASR (0.46) CASRTMEM97SIGMAR1
SCHEMBL1386100 0.81 CASR (0.56) CASRRIPK1
SCHEMBL1386946 0.81 CASR (0.46) CASRTMEM97SIGMAR1
SCHEMBL3951753 0.80 CASR (0.37) CASRTP53MAPT
SCHEMBL1383382 0.79 CASR (0.46) CASRTMEM97SIGMAR1TP53MAPT
SCHEMBL1386625 0.79 CASR (0.59) CASRRIPK1SIGMAR1TP53MAPT
SCHEMBL1383373 0.79 CASR (0.55) CASRTMEM97SIGMAR1
SCHEMBL1383579 0.79 CASR (0.55) CASR

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