SCHEMBL4075336

SCHEMBL4075336

O=C(c1ccc(F)c(F)c1)c1ncc(CN2CCC3(CC2)OCc2cc(F)ncc23)cn1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.83
KCNH2 Q12809 11/20 0.83
ADRA1A P35348 2/20 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
SCHEMBL4066849 0.91 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL13664927 0.90 MCHR1 (0.84) MCHR1KCNH2
SCHEMBL1002467 0.89 MCHR1 (0.66) MCHR1KCNH2
SCHEMBL13664926 0.86 MCHR1 (0.80) MCHR1KCNH2ADRA1A
SCHEMBL4071336 0.83 MCHR1 (0.85) MCHR1KCNH2
SCHEMBL13664928 0.82 MCHR1 (0.84) MCHR1KCNH2
SCHEMBL4075301 0.82 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL4069144 0.82 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL4069151 0.82 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL4071084 0.81 MCHR1 (0.79) MCHR1KCNH2

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-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP disclosed