SCHEMBL7605964

SCHEMBL7605964

CCCN(CCC)CCOc1cc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.58
MCHR1 Q99705 3/20 0.56
BCHE P06276 8/20 0.55
ACHE P22303 8/20 0.55
SLC2A1 P11166 1/20 0.53
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL7613721 0.90 MEN1 (0.59) TRPV1BCHEACHESLC2A1HDAC3
SCHEMBL7681881 0.90 BCHE (0.58) TRPV1BCHEACHESLC2A1HDAC3
SCHEMBL7622423 0.88 BCHE (0.55) TRPV1BCHEACHESLC2A1HDAC1
SCHEMBL7615432 0.88 BCHE (0.58) TRPV1BCHEACHESLC2A1HDAC3
SCHEMBL7605752 0.88 BCHE (0.58) TRPV1BCHEACHESLC2A1HDAC3
SCHEMBL7613677 0.88 BCHE (0.65) TRPV1BCHEACHESLC2A1MEN1
SCHEMBL7605961 0.87 SLC2A1 (0.69) TRPV1MCHR1BCHEACHESLC2A1
SCHEMBL7612434 0.87 MAPT (0.54) TRPV1BCHEACHESLC2A1HDAC3
SCHEMBL7616332 0.86 BCHE (0.58) TRPV1BCHEACHESLC2A1HDAC3
SCHEMBL7651296 0.86 SLC2A1 (0.58) TRPV1MCHR1BCHEACHESLC2A1

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