SCHEMBL3425513

SCHEMBL3425513

O=C(O)c1cn(Cc2ccc3ccccc3c2)c2c(c1=O)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.46
FABP4 P15090 8/20 0.46
FABP3 P05413 2/20 0.46
LMNA P02545 1/20 0.44
TOP1 P11387 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
SCHEMBL2396353 0.83 CHRM1 (0.59) CHRM1FABP4FABP3LMNATOP1
SCHEMBL2396901 0.82 TOP1 (0.40) CHRM1FABP4LMNATOP1
SCHEMBL8010027 0.73 CHRM1 (0.56) CHRM1LMNATOP1
SCHEMBL4433121 0.72 BRD4 (0.52) LMNA
SCHEMBL18284289 0.70 SERPINE1 (0.46) CHRM1LMNA
SCHEMBL18284244 0.70 CNR2 (0.47) CHRM1LMNA
SCHEMBL9022276 0.70 CNR2 (0.47)
SCHEMBL15519384 0.69 MEN1 (0.38) TOP1
SCHEMBL2397468 0.68 CHRM1 (0.53) CHRM1LMNATOP1
SCHEMBL15579846 0.68 CHRM1 (0.52) CHRM1LMNATOP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252299-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-24 EP disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO disclosed