SCHEMBL7610076

SCHEMBL7610076

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(C#N)cc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.48
BCHE P06276 7/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL7614322 0.89 MAPT (0.53) ACHEBCHETRPV1TP53MAPT
SCHEMBL7615771 0.89 BCHE (0.49) ACHEBCHETRPV1TP53MAPT
SCHEMBL7611228 0.89 MAPT (0.51) ACHEBCHETRPV1TP53MAPT
SCHEMBL7610074 0.88 SLC2A1 (0.54) ACHEBCHEMAOBMAOATRPV1
SCHEMBL7610070 0.88 SLC2A1 (0.54) ACHEBCHEMAOBMAOATRPV1
SCHEMBL7621024 0.87 IMPDH2 (0.50) ACHEBCHETRPV1TP53MAPT
SCHEMBL7617418 0.86 MCHR1 (0.58) ACHEBCHEMAOBTRPV1
SCHEMBL7614801 0.86 BCHE (0.51) ACHEBCHETRPV1TP53MAPT
SCHEMBL7609170 0.85 TP53 (0.64) ACHEBCHETP53MAPT
SCHEMBL7606546 0.85 BCHE (0.46) ACHEBCHETRPV1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP claimed
JP-2002521441-A 2002-07-16 JP claimed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed