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Sugi Predict / Compounds / SCHEMBL1367517

SCHEMBL1367517

SCHEMBL1367517

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(-c3cccc(C=O)c3)ccc2OC)c1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(-c3cccc(CN4C[C@@H]5C[C@H]4CN5)c3)ccc2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.40
▸ PDE4B Q07343 12/20 0.38
▸ TLR7 Q9NYK1 1/20 0.32
▸ GGPS1 O95749 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ WDR5 P61964 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ MTOR P42345 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
SCHEMBL1362514 0.96 CHRM3 (0.43) CHRM3PDE4BTLR7GGPS1PDE5A
SCHEMBL1362516 0.96 CHRM3 (0.43) CHRM3PDE4BTLR7GGPS1PDE5A
SCHEMBL1363100 0.90 PDE4B (0.43) PDE4BGGPS1PDE5AWDR5MTOR
SCHEMBL1366715 0.90 CHRM3 (0.41) CHRM3PDE4B
SCHEMBL1363755 0.89 CHRM3 (0.45) CHRM3PDE4B
SCHEMBL1363757 0.89 CHRM3 (0.45) CHRM3PDE4B
SCHEMBL1362404 0.89 CHRM3 (0.43) CHRM3PDE4BTLR7PDE5AROCK2
SCHEMBL1362408 0.89 CHRM3 (0.43) CHRM3PDE4BTLR7PDE5AROCK2
SCHEMBL1366220 0.88 CHRM3 (0.41) CHRM3PDE4B
SCHEMBL1364049 0.87 CHRM3 (0.44) CHRM3PDE4BROCK2

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