SCHEMBL541398

SCHEMBL541398

CCn1cc(-c2cccc(OC)c2)c2cc(CNC(C)c3cccc4ccccc34)ccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.43
BRD4 O60885 1/20 0.41
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
PPARG P37231 1/20 0.37
KRAS P01116 1/20 0.37
CNR2 P34972 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
SCHEMBL541388 1.00 CASR (0.43) CASRBRD4MCL1BADPPARG
SCHEMBL541647 0.91 CASR (0.42) CASRPPARG
SCHEMBL541857 0.91 CASR (0.42) CASRPPARG
SCHEMBL541525 0.90 CASR (0.43) CASRPPARGCNR2
SCHEMBL541526 0.90 CASR (0.43) CASRPPARGCNR2
SCHEMBL541460 0.87 CASR (0.40) CASRMCL1BADPPARGCNR2
SCHEMBL541004 0.87 CASR (0.40) CASRMCL1BADPPARGCNR2
SCHEMBL541702 0.87 CASR (0.40) CASRPPARG
SCHEMBL541302 0.87 CASR (0.40) CASRPPARG
SCHEMBL541318 0.87 CASR (0.53) CASRBRD4PPARG

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
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP claimed