SCHEMBL1364554

SCHEMBL1364554

CC(C)(C)[C@@]1(C)CN(Cc2cc(-c3cccc(CNC(=O)c4cccc(C=O)c4)c3)ccc2F)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.48
SLC2A1 P11166 1/20 0.43

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
SCHEMBL3400992 0.81 CHRM3 (0.50) CHRM3
SCHEMBL1632732 0.78 SLC2A1 (0.38) CHRM3SLC2A1
SCHEMBL1364552 0.77 CHRM3 (0.47) CHRM3
SCHEMBL1631046 0.72 DPP4 (0.39) CHRM3SLC2A1
SCHEMBL1630333 0.72 CHRM3 (0.54) CHRM3
SCHEMBL1365235 0.69 CHRM3 (0.40) CHRM3
SCHEMBL3411496 0.69 CHRM3 (0.40) CHRM3
SCHEMBL1631464 0.68 CHRM3 (0.70) CHRM3
SCHEMBL1362605 0.66 LOXL2 (0.40)
SCHEMBL1362267 0.66 CHRM3 (0.42) CHRM3

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