SCHEMBL3230516

SCHEMBL3230516

O=C(O)c1cn(Cc2c(F)cc(F)cc2F)c2c(F)cccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.66
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.40

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
SCHEMBL3230348 0.92 CHRM1 (0.72) CHRM1MAPTLMNA
SCHEMBL3234264 0.88 CHRM1 (0.73) CHRM1MAPTLMNASMN1; SMN2TP53
SCHEMBL3233806 0.86 CHRM1 (0.64) CHRM1MAPTLMNASMN1; SMN2TP53
SCHEMBL3230296 0.85 CHRM1 (0.66) CHRM1MAPTLMNA
SCHEMBL3230518 0.85 CHRM1 (0.48) CHRM1MAPTSMN1; SMN2TP53
SCHEMBL3234394 0.84 CHRM1 (0.86) CHRM1MAPTLMNATP53
SCHEMBL3228651 0.83 CHRM1 (0.64) CHRM1MAPTLMNATP53
SCHEMBL3237954 0.83 CHRM1 (0.73) CHRM1MAPTLMNA
SCHEMBL14747460 0.82 CHRM1 (0.72) CHRM1MAPTLMNASMN1; SMN2TP53
SCHEMBL3237079 0.82 CHRM1 (0.62) 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 7 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
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
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed