SCHEMBL4423111

SCHEMBL4423111

CCN(CCO)CCNCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MCHR1 Q99705 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL4551985 0.91 MCHR1 (0.51) USP2HTTSMN1; SMN2MCHR1LMNA
SCHEMBL4420094 0.90 USP2 (0.60) USP2HTTSMN1; SMN2MCHR1LMNA
SCHEMBL1724753 0.85 SMN1; SMN2 (0.59) USP2HTTSMN1; SMN2LMNAMEN1
SCHEMBL4419877 0.84 SMN1; SMN2 (0.59) USP2HTTSMN1; SMN2MCHR1LMNA
SCHEMBL4424650 0.78 MCHR1 (0.67) SMN1; SMN2MCHR1LMNAMEN1KMT2A
SCHEMBL3457044 0.77 HRH3 (0.51) USP2HTTSMN1; SMN2LMNAMEN1
SCHEMBL4418899 0.77 CHRM2 (0.53) SMN1; SMN2MCHR1NPSR1TMEM97SIGMAR1
SCHEMBL4713979 0.76 SMN1; SMN2 (0.53) USP2HTTSMN1; SMN2LMNAMEN1
SCHEMBL3457092 0.76 CHRM2 (0.51) USP2HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3456657 0.75 L3MBTL1 (0.51) USP2HTTSMN1; SMN2MCHR1LMNA

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
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