SCHEMBL4642917

SCHEMBL4642917

CN(C)C1CCN(c2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3s2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.53
KCNH2 Q12809 2/20 0.49
MAPT P10636 2/20 0.46

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
SCHEMBL13054103 1.00 MCHR1 (0.53) MCHR1KCNH2MAPT
SCHEMBL4642923 1.00 MCHR1 (0.53) MCHR1KCNH2MAPT
SCHEMBL3754940 0.92 MAPT (0.55) MCHR1MAPT
SCHEMBL3754936 0.92 MAPT (0.55) MCHR1MAPT
SCHEMBL13054094 0.92 MAPT (0.55) MCHR1MAPT
SCHEMBL3759111 0.92 MCHR1 (0.46) MCHR1KCNH2MAPT
SCHEMBL13054096 0.92 MCHR1 (0.46) MCHR1KCNH2MAPT
SCHEMBL3759114 0.92 MCHR1 (0.46) MCHR1KCNH2MAPT
SCHEMBL13054090 0.92 MAPT (0.46) MCHR1KCNH2MAPT
SCHEMBL3750062 0.92 MAPT (0.47) MCHR1MAPT

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed