SCHEMBL4419042

SCHEMBL4419042

Clc1ccc(-c2ccc(CNCCN3CCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.64
MCHR1 Q99705 3/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM1 P11229 2/20 0.52
HTR2A P28223 2/20 0.52
SIGMAR1 Q99720 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM2 P08172 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL5867373 0.98 DPP7 (0.62) DPP7MCHR1GAASMN1; SMN2CHRM1
SCHEMBL18769662 0.95 DPP7 (0.70) DPP7GAASMN1; SMN2SIGMAR1KDM4E
SCHEMBL18769723 0.94 DPP7 (0.68) DPP7MCHR1GAASMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL5760498 0.94 DPP7 (0.68) DPP7GAASMN1; SMN2SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL5758747 0.92 DPP7 (0.66) DPP7GAASMN1; SMN2SIGMAR1KDM4E
SCHEMBL4412835 0.91 CHRM2 (0.54) DPP7MCHR1SMN1; SMN2CHRM1HTR2A
SCHEMBL4551826 0.90 MCHR1 (0.53) DPP7MCHR1CHRM1HTR2ASIGMAR1
SCHEMBL12332378 0.89 DPP7 (0.59) DPP7GAASMN1; SMN2SIGMAR1KDM4E
SCHEMBL4424517 0.88 CNR1 (0.52) DPP7GAASMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL4423135 0.87 POLB (0.58) SMN1; SMN2ALDH1A1CNR1HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed