SCHEMBL7608573

SCHEMBL7608573

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccccc2Cl)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.54
ACHE P22303 8/20 0.54
IMPDH2 P12268 1/20 0.53
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 4/20 0.52
THRB P10828 1/20 0.52
SLC2A1 P11166 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MCHR1 Q99705 1/20 0.48
MAOB P27338 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL7608320 0.90 ALDH1A1 (0.49) BCHEACHEMAPTSMN1; SMN2MEN1
SCHEMBL7606982 0.90 BCHE (0.52) BCHEACHEMAPTSMN1; SMN2MEN1
SCHEMBL7609661 0.88 BCHE (0.47) BCHEACHEIMPDH2MAPTMEN1
SCHEMBL7608566 0.87 SLC2A1 (0.65) BCHEACHEIMPDH2MAPTSMN1; SMN2
SCHEMBL7608569 0.87 SLC2A1 (0.65) BCHEACHEIMPDH2MAPTSMN1; SMN2
SCHEMBL7613677 0.87 BCHE (0.65) BCHEACHESMN1; SMN2MEN1KMT2A
SCHEMBL7609068 0.86 BCHE (0.62) BCHEACHEMAPTSMN1; SMN2MEN1
SCHEMBL7608004 0.85 TP53 (0.65) BCHEACHEMAPTMEN1KMT2A
SCHEMBL7615432 0.85 BCHE (0.58) BCHEACHEIMPDH2MAPTSMN1; SMN2
SCHEMBL7620225 0.85 BCHE (0.47) BCHEACHEIMPDH2MAPTMEN1

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