SCHEMBL7606995

SCHEMBL7606995

CCCN(CCC)CCCc1cc(NC(=O)C(F)=Cc2ccccc2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.40
BCHE P06276 7/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7606992 0.87 SLC2A1 (0.44) POLB
SCHEMBL7606985 0.87 SLC2A1 (0.44) POLB
SCHEMBL7612430 0.87 C5 (0.48) ACHEBCHE
SCHEMBL7609714 0.84 MCHR1 (0.49) ACHEBCHEPOLB
SCHEMBL6896357 0.78 ATM (0.52)
SCHEMBL7614275 0.77 SMN1; SMN2 (0.52) ACHEBCHE
SCHEMBL6898063 0.76 MCHR1 (0.56) ACHEBCHE
SCHEMBL6901301 0.76 MCHR1 (0.58)
SCHEMBL7607926 0.76 BCHE (0.47) ACHEBCHEPOLB
SCHEMBL7622453 0.75 BCHE (0.54) ACHEBCHE

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