SCHEMBL7614801

SCHEMBL7614801

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(C)c(C)c2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.51
ACHE P22303 9/20 0.51
MAPT P10636 5/20 0.49
TP53 P04637 3/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 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
SCHEMBL7612338 0.88 BCHE (0.50) BCHEACHEMAPTTP53MEN1
SCHEMBL7609170 0.88 TP53 (0.64) BCHEACHEMAPTTP53MEN1
SCHEMBL7615771 0.88 BCHE (0.49) BCHEACHEMAPTTP53TRPV1
SCHEMBL7614322 0.88 MAPT (0.53) BCHEACHEMAPTTP53MEN1
SCHEMBL7611228 0.88 MAPT (0.51) BCHEACHEMAPTTP53MEN1
SCHEMBL7622453 0.87 BCHE (0.54) BCHEACHEMAPTTP53MEN1
SCHEMBL7613897 0.87 BCHE (0.60) BCHEACHEMAPTTP53MEN1
SCHEMBL7614792 0.87 SLC2A1 (0.54) BCHEACHEMAPTTP53MEN1
SCHEMBL7614795 0.87 SLC2A1 (0.54) BCHEACHEMAPTTP53MEN1
SCHEMBL7610076 0.86 ACHE (0.48) BCHEACHEMAPTTP53CA12

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