SCHEMBL3241022

SCHEMBL3241022

COc1c(F)c(F)c(Cn2cc(C(=O)O)c(=O)c3ccccc32)c(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.64
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.50

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
SCHEMBL3241379 0.87 CHRM1 (0.47) CHRM1LMNATP53
SCHEMBL31653939 0.78 CHRM1 (1.00) CHRM1LMNA
SCHEMBL1549479 0.78 CHRM1 (1.00) CHRM1LMNA
SCHEMBL13762897 0.77 CHRM1 (0.77) CHRM1LMNATP53
SCHEMBL3236188 0.77 CHRM1 (0.69) CHRM1LMNATP53
SCHEMBL9028399 0.76 LMNA (1.00) CHRM1LMNATP53
SCHEMBL31554247 0.76 LMNA (1.00) CHRM1LMNATP53
SCHEMBL17338644 0.76 LMNA (0.69) CHRM1LMNATP53
SCHEMBL2487853 0.75 CHRM1 (0.93) CHRM1LMNA
SCHEMBL1661468 0.75 LMNA (0.71) CHRM1LMNA

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 6 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
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
CN-101321733-A Quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2008-12-10 CN disclosed