SCHEMBL1386946

SCHEMBL1386946

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.46
SIGMAR1 Q99720 5/20 0.39
TMEM97 Q5BJF2 4/20 0.39
CNR1 P21554 1/20 0.35
ITGAL P20701 1/20 0.34
APP P05067 1/20 0.34
EPAS1 Q99814 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SLC12A2 P55011 1/20 0.34
SLC12A5 Q9H2X9 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL1383132 0.91 CASR (0.47) CASRAPP
SCHEMBL1384720 0.91 CASR (0.46) CASRAPP
SCHEMBL1385738 0.91 CASR (0.46) CASRSIGMAR1TMEM97APP
SCHEMBL1385726 0.91 CASR (0.46) CASRSIGMAR1TMEM97APP
SCHEMBL1384555 0.90 EPAS1 (0.37) CASREPAS1
SCHEMBL1385344 0.90 CASR (0.54) CASRAPP
SCHEMBL1385543 0.89 CASR (0.54) CASRPDE5A
SCHEMBL1386007 0.84 MEN1 (0.42) CASRCNR1
SCHEMBL1385867 0.81 CASR (0.59) CASRAPP
SCHEMBL1383335 0.81 CASR (0.54) 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