SCHEMBL3236188

SCHEMBL3236188

COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1F

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.69
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.55

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
SCHEMBL3237088 0.88 GAA (0.56) CHRM1LMNATP53
SCHEMBL3236193 0.88 CHRM1 (0.53) CHRM1LMNATP53
SCHEMBL3234190 0.86 CHRM1 (0.67) CHRM1LMNA
SCHEMBL3235478 0.86 CHRM1 (0.67) CHRM1LMNA
SCHEMBL1549479 0.82 CHRM1 (1.00) CHRM1LMNA
SCHEMBL31653939 0.82 CHRM1 (1.00) CHRM1LMNA
SCHEMBL13762897 0.81 CHRM1 (0.77) CHRM1LMNATP53
SCHEMBL2880256 0.80 CHRM1 (0.76) CHRM1LMNA
SCHEMBL2487853 0.79 CHRM1 (0.93) CHRM1LMNA
SCHEMBL27746432 0.79 PTGER4 (0.46) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed
CN-101321733-A Quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2008-12-10 CN claimed
EP-1963271-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO claimed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
CN-101321733-A Quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2008-12-10 CN disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed