SCHEMBL7612892

SCHEMBL7612892

CCCN(CCC)CCCOc1cc(NC(=O)C=Cc2cccs2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
HPGD P15428 1/20 0.53
BCHE P06276 9/20 0.53
ACHE P22303 8/20 0.53
IMPDH2 P12268 1/20 0.53
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
SLC2A1 P11166 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
SCHEMBL7618396 0.95 MAPT (0.56) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7613375 0.88 MAPT (0.51) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7612887 0.87 SLC2A1 (0.58) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7612880 0.87 SLC2A1 (0.58) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7623125 0.86 MAPT (0.56) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7613705 0.84 BCHE (0.54) MAPTMEN1KMT2AHPGDBCHE
SCHEMBL7618392 0.84 SLC2A1 (0.64) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7614846 0.84 BCHE (0.56) MAPTKDM4EHPGDBCHEACHE
SCHEMBL7618386 0.84 SLC2A1 (0.64) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7620255 0.82 BCHE (0.58) MAPTMEN1KMT2AMAPK1BCHE

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