SCHEMBL7618583

SCHEMBL7618583

CCCN(CCC)CCOc1cc(NC(=O)C(C)=C(C)c2ccccc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.54
C5 P01031 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
EBP Q15125 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
HTR2C P28335 1/20 0.46

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
SCHEMBL6898088 0.84 MCHR1 (0.67) MCHR1HTR2C
SCHEMBL6901278 0.82 MCHR1 (0.60) MCHR1HTR2C
SCHEMBL6921907 0.82 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6896989 0.82 MCHR1 (0.67) MCHR1HTR2C
SCHEMBL7609714 0.81 MCHR1 (0.49) MCHR1C5SIGMAR1EBPTMEM97
SCHEMBL6899005 0.81 MCHR1 (0.63) MCHR1HTR2C
SCHEMBL6892162 0.81 MCHR1 (0.71) MCHR1HTR2C
SCHEMBL6895401 0.80 MCHR1 (0.70) MCHR1HTR2C
SCHEMBL6899096 0.80 MCHR1 (0.70) MCHR1SIGMAR1EBPTMEM97HTR2C
SCHEMBL6899460 0.80 MCHR1 (0.62) MCHR1HTR2C

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