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SCHEMBL1366715

SCHEMBL1366715

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(Cl)cc(-c3cccc(C=O)c3)c2)c1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(Cl)cc(-c3cccc(CN4C[C@@H]5C[C@H]4CN5)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 4/20 0.41
▸ PDE4B Q07343 13/20 0.41
▸ MAPK1 P28482 1/20 0.30
▸ NR3C1 P04150 1/20 0.30

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
SCHEMBL1365340 0.96 CHRM3 (0.45) CHRM3PDE4BMAPK1NR3C1
SCHEMBL1365342 0.96 CHRM3 (0.45) CHRM3PDE4BMAPK1NR3C1
SCHEMBL1366220 0.92 CHRM3 (0.41) CHRM3PDE4BNR3C1
SCHEMBL1363838 0.91 PDE4B (0.47) PDE4BMAPK1NR3C1
SCHEMBL1363096 0.90 CHRM3 (0.45) CHRM3PDE4BMAPK1NR3C1
SCHEMBL1363092 0.90 CHRM3 (0.45) CHRM3PDE4BMAPK1NR3C1
SCHEMBL1367517 0.90 CHRM3 (0.40) CHRM3PDE4B
SCHEMBL1362624 0.90 CHRM3 (0.45) CHRM3PDE4BMAPK1
SCHEMBL1362622 0.90 CHRM3 (0.45) CHRM3PDE4BMAPK1
SCHEMBL1365168 0.89 CHRM3 (0.40) CHRM3PDE4B

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
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 — — US disclosed