SCHEMBL4071336

SCHEMBL4071336

[O]/N=C(/c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.85
KCNH2 Q12809 11/20 0.85
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL4075301 0.92 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4069151 0.92 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4069144 0.92 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4071081 0.89 MCHR1 (0.79) MCHR1KCNH2SIGMAR1
SCHEMBL4071086 0.89 MCHR1 (0.79) MCHR1KCNH2SIGMAR1
SCHEMBL4071084 0.89 MCHR1 (0.79) MCHR1KCNH2SIGMAR1
SCHEMBL4067799 0.89 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4072738 0.89 MCHR1 (1.00) MCHR1KCNH2SIGMAR1
SCHEMBL4313113 0.88 MCHR1 (0.78) MCHR1KCNH2SIGMAR1
SCHEMBL4313111 0.88 MCHR1 (0.78) MCHR1KCNH2SIGMAR1

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