SCHEMBL4074749

SCHEMBL4074749

COc1cc(Cc2ccc(F)c(F)c2)ccc1CN1CCC2(CC1)OCc1ccncc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.49
KCNH2 Q12809 11/20 0.49
SIGMAR1 Q99720 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
SCHEMBL4074747 0.87 KCNH2 (0.44) MCHR1KCNH2
SCHEMBL4074742 0.87 KCNH2 (0.44) MCHR1KCNH2
SCHEMBL13664939 0.86 MCHR1 (0.57) MCHR1KCNH2
SCHEMBL4076927 0.80 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL4076904 0.80 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL4076908 0.80 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL13664942 0.77 MCHR1 (0.64) MCHR1KCNH2
SCHEMBL1005167 0.77 MCHR1 (0.59) MCHR1KCNH2SIGMAR1
SCHEMBL1003458 0.76 MCHR1 (0.56) MCHR1KCNH2SIGMAR1
SCHEMBL4252556 0.76 MCHR1 (0.64) 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