SCHEMBL13760969

SCHEMBL13760969

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CN4CCNC(C)C4)c3)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.49
CHRM2 P08172 6/20 0.47
CHRM1 P11229 6/20 0.47
KCNH2 Q12809 1/20 0.44

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
SCHEMBL1362617 1.00 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1364114 0.94 CHRM3 (0.47) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1364195 0.92 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1363385 0.91 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1362614 0.91 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4200694 0.91 PDE4B (0.43) CHRM3CHRM2CHRM1
SCHEMBL1362789 0.91 PDE4B (0.44) CHRM3
SCHEMBL1362829 0.90 CHRM3 (0.45) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1363313 0.90 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1364449 0.90 CHRM3 (0.53) CHRM3CHRM2CHRM1KCNH2

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
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed