SCHEMBL3235201

SCHEMBL3235201

O=C(O)c1cn(Cc2ccc(Br)cc2F)c2cccc(F)c2c1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.65
RORC P51449 1/20 0.56
AKR1B1 P15121 3/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NOD2 Q9HC29 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2490472 0.86 CHRM1 (0.52) CHRM1RORCMAPTNPC1RAB9A
SCHEMBL2486523 0.84 CHRM1 (0.58) CHRM1RORCAKR1B1MEN1CYP1A2
SCHEMBL3238778 0.84 CHRM1 (0.48) CHRM1RORCAKR1B1MAPTTP53
SCHEMBL15111959 0.82 NPC1 (0.58) RORCAKR1B1MAPTNPC1RAB9A
SCHEMBL3237399 0.81 CHRM1 (0.72) CHRM1LMNA
SCHEMBL3230356 0.80 IDO1 (0.50) CHRM1AKR1B1MAPTRAB9ALMNA
SCHEMBL3237168 0.79 CHRM1 (0.66) CHRM1LMNA
SCHEMBL2489633 0.79 CHRM1 (0.71) CHRM1RORCTP53RXFP1
SCHEMBL2490478 0.79 CHRM1 (1.00) CHRM1
SCHEMBL3233862 0.78 AKR1B1 (0.56) CHRM1AKR1B1MAPTLMNA

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 10 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
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