SCHEMBL3235459

SCHEMBL3235459

O=C(O)c1cn(Cc2cccc(OC(F)(F)F)c2)c2c(F)cccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.62
SERPINE1 P05121 4/20 0.48
LMNA P02545 1/20 0.46
RORC P51449 1/20 0.44
MAPT P10636 1/20 0.43
FEN1 P39748 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
SCHEMBL3236692 0.90 CHRM1 (0.71) CHRM1SERPINE1LMNA
SCHEMBL3233555 0.89 CHRM1 (0.64) CHRM1LMNAMAPT
SCHEMBL2877658 0.89 CHRM1 (0.62) CHRM1SERPINE1LMNARORCFEN1
SCHEMBL3237007 0.88 CHRM1 (0.48) CHRM1SERPINE1RORCMAPTFEN1
SCHEMBL3234283 0.88 CHRM1 (0.65) CHRM1LMNAMAPT
SCHEMBL3234275 0.84 CHRM1 (0.66) CHRM1LMNAMAPT
SCHEMBL3234394 0.83 CHRM1 (0.86) CHRM1LMNAMAPT
SCHEMBL3234583 0.82 CHRM1 (0.75) CHRM1LMNAMAPT
SCHEMBL3234264 0.80 CHRM1 (0.73) CHRM1LMNAMAPT
SCHEMBL3237954 0.80 CHRM1 (0.73) CHRM1LMNAMAPT

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 9 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
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