SCHEMBL3235478

SCHEMBL3235478

COc1ccc(Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1F

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.67
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
TOP1 P11387 4/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3234418 0.89 CHRM1 (0.61) CHRM1SMN1; SMN2GAATOP1LMNA
SCHEMBL3235484 0.89 CHRM1 (0.52) CHRM1SMN1; SMN2GAALMNATDP1
SCHEMBL3234583 0.87 CHRM1 (0.75) CHRM1LMNA
SCHEMBL3236188 0.86 CHRM1 (0.69) CHRM1LMNA
SCHEMBL3234283 0.86 CHRM1 (0.65) CHRM1SMN1; SMN2GAATOP1LMNA
SCHEMBL3232230 0.86 CHRM1 (0.74) CHRM1SMN1; SMN2LMNA
SCHEMBL2880256 0.85 CHRM1 (0.76) CHRM1SMN1; SMN2TOP1LMNATDP1
SCHEMBL3237954 0.83 CHRM1 (0.73) CHRM1TOP1LMNA
SCHEMBL2487094 0.83 CHRM1 (0.80) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL3234190 0.83 CHRM1 (0.67) CHRM1GAALMNATDP1

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 13 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
EP-1963271-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed