SCHEMBL7612430

SCHEMBL7612430

CCCN(CCC)CCCOc1cc(NC(=O)C(F)=Cc2ccccc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5 P01031 2/20 0.48
BCHE P06276 6/20 0.47
ACHE P22303 6/20 0.47
MCHR1 Q99705 1/20 0.44
EBP Q15125 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7609714 0.95 MCHR1 (0.49) C5BCHEACHEMCHR1EBP
SCHEMBL7612419 0.87 MCHR1 (0.52) C5BCHEACHEMCHR1
SCHEMBL7606995 0.87 ACHE (0.40) BCHEACHE
SCHEMBL7612426 0.87 MCHR1 (0.52) C5BCHEACHEMCHR1
SCHEMBL7609706 0.84 MCHR1 (0.58) C5MCHR1
SCHEMBL7609710 0.84 MCHR1 (0.58) C5MCHR1
SCHEMBL7613677 0.78 BCHE (0.65) BCHEACHE
SCHEMBL7618583 0.77 MCHR1 (0.54) C5MCHR1EBPTMEM97SIGMAR1
SCHEMBL7612442 0.75 BCHE (0.63) BCHEACHE
SCHEMBL7609628 0.75 BCHE (0.58) BCHEACHE

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