SCHEMBL4416526

SCHEMBL4416526

CC(C)(C)OC(=O)N1CCN(CCNCc2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ACKR3 P25106 3/20 0.52
VEGFA P15692 1/20 0.51
EGLN1 Q9GZT9 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
STS P08842 2/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
SETD7 Q8WTS6 1/20 0.45
CYP2C19 P33261 1/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL4412360 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HTTNPSR1ACKR3VEGFA
SCHEMBL32667348 0.84 VEGFA (0.64) SMN1; SMN2HTTNPSR1VEGFAEGLN1
SCHEMBL5536182 0.80 VEGFA (0.68) SMN1; SMN2HTTNPSR1VEGFAEGLN1
SCHEMBL22771220 0.80 VEGFA (0.49) SMN1; SMN2HTTNPSR1ACKR3VEGFA
SCHEMBL4424517 0.78 CNR1 (0.52) SMN1; SMN2KMT2AMEN1DRD2
SCHEMBL8263259 0.78 ACKR3 (0.52) SMN1; SMN2HTTNPSR1ACKR3KMT2A
SCHEMBL3979358 0.77 KDM4E (0.57) SMN1; SMN2HTTNPSR1VEGFAEGLN1
SCHEMBL12332378 0.77 DPP7 (0.59) SMN1; SMN2KMT2ADRD2
SCHEMBL4419042 0.76 DPP7 (0.64) SMN1; SMN2KMT2A
SCHEMBL5264888 0.75 DPP7 (0.48) SMN1; SMN2HTTNPSR1KMT2AMEN1

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 3 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