SCHEMBL3238994

SCHEMBL3238994

O=C(O)c1cn(Cc2c(F)cccc2F)c2ccc(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
MAPT P10636 1/20 0.50
PDE7A Q13946 3/20 0.49
CHRM1 P11229 2/20 0.48
PDE4A P27815 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
THRB P10828 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3242119 0.85 PTGDR2 (0.48) PTGDR2MAPTPDE7APDE4ARXFP1
SCHEMBL3234562 0.81 LMNA (0.52) LMNAPTGDR2CHRM1RXFP1
SCHEMBL30390219 0.81 KDM4E (0.68) LMNAMAPTPDE4ATHRBKDM4E
SCHEMBL9027382 0.81 KDM4E (0.68) LMNAMAPTPDE4ATHRBKDM4E
SCHEMBL3237399 0.80 CHRM1 (0.72) LMNAPDE7ACHRM1PDE4A
SCHEMBL3230348 0.80 CHRM1 (0.72) LMNAMAPTPDE7ACHRM1PDE4A
SCHEMBL7056189 0.80 LMNA (0.56) LMNAMAPTCHRM1RXFP1THRB
SCHEMBL3230356 0.79 IDO1 (0.50) LMNAPTGDR2MAPTCHRM1RXFP1
SCHEMBL5372335 0.79 KMT2A (0.53) LMNAMAPTTHRBTP53KDM4E
SCHEMBL11550104 0.79 KDM4E (0.52) LMNAPTGDR2THRBKDM4EALDH1A1

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
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
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed