SCHEMBL1972887

SCHEMBL1972887

CCOC(=O)OC1CCN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(OC(F)(F)F)cc4Cl)cn(CC(F)(F)F)c3c2OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.43
EPHX2 P34913 2/20 0.37
KCNH2 Q12809 2/20 0.36
PDE10A Q9Y233 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
SCHEMBL1974194 0.94 TOP1 (0.41) TOP1KCNH2PDE10A
SCHEMBL1971493 0.93 TOP1 (0.45) TOP1EPHX2KCNH2PDE10A
SCHEMBL1976421 0.93 TOP1 (0.46) TOP1EPHX2KCNH2
SCHEMBL2201816 0.92 TOP1 (0.44) TOP1KCNH2PDE10A
SCHEMBL1972468 0.89 TOP1 (0.36) TOP1PDE10A
SCHEMBL2204011 0.89 TOP1 (0.47) TOP1EPHX2KCNH2
SCHEMBL1971816 0.88 TOP1 (0.42) TOP1KCNH2PDE10A
SCHEMBL1972467 0.87 TOP1 (0.44) TOP1KCNH2
SCHEMBL12427313 0.87 TOP1 (0.45) TOP1KCNH2
SCHEMBL1971424 0.86 TOP1 (0.43) TOP1KCNH2PDE10A

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-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed