SCHEMBL3230384

SCHEMBL3230384

O=C(O)c1cn(Cc2ccc(Cc3ccc(F)cc3)cc2)c2ccccc2c1=O

nearest known ligand 0.93

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.80
LMNA P02545 1/20 0.76
CNR2 P34972 1/20 0.70
CHRM1 P11229 5/20 0.69
POLB P06746 1/20 0.64
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL30497877 0.87 POLB (0.78) TP53LMNACNR2CHRM1POLB
SCHEMBL9028399 0.87 LMNA (1.00) TP53LMNACNR2CHRM1
SCHEMBL31554247 0.87 LMNA (1.00) TP53LMNACNR2CHRM1
SCHEMBL2932309 0.85 POLB (0.83) TP53LMNACNR2CHRM1POLB
SCHEMBL3241260 0.85 TP53 (0.68) TP53LMNACNR2CHRM1POLB
SCHEMBL3228550 0.85 LMNA (0.84) TP53LMNACNR2CHRM1
SCHEMBL3234154 0.85 LMNA (0.89) TP53LMNACNR2CHRM1
SCHEMBL2487513 0.85 LMNA (0.84) TP53LMNACNR2CHRM1
SCHEMBL16341623 0.84 LMNA (0.82) TP53LMNACNR2CHRM1
SCHEMBL2489417 0.82 LMNA (0.64) TP53LMNACNR2CHRM1POLB

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