SCHEMBL1362267

SCHEMBL1362267

COC(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(-c3cccc(CN4CCN(C(=O)O)[C@@](C)(C(C)(C)C)C4)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.42
APAF1 O14727 1/20 0.39
UBE2N P61088 1/20 0.39
CHRM2 P08172 5/20 0.39
CHRM1 P11229 5/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1362506 0.84 CHRM3 (0.53) CHRM3APAF1UBE2NCHRM2CHRM1
SCHEMBL4193656 0.81 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL3411496 0.81 CHRM3 (0.40) CHRM3CHRM2CHRM1
SCHEMBL1365235 0.81 CHRM3 (0.40) CHRM3CHRM2CHRM1
SCHEMBL1362265 0.78 CHRM3 (0.48) CHRM3CHRM2CHRM1
SCHEMBL13761063 0.78 CHRM3 (0.68) CHRM3CHRM2CHRM1
SCHEMBL1363801 0.77 CHRM3 (0.53) CHRM3APAF1UBE2NCHRM2CHRM1
SCHEMBL1630333 0.72 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL1362397 0.72 ERN1 (0.47) MEN1KMT2A
SCHEMBL13761230 0.72 CHRM3 (0.47) CHRM3APAF1UBE2NCHRM2CHRM1

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