SCHEMBL7607954

SCHEMBL7607954

CCCN(CCC)CCOc1cc(NC(=O)C=Cc2ccsc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.54
ACHE P22303 13/20 0.54
SLC2A1 P11166 1/20 0.51
TRPV1 Q8NER1 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL7613705 0.95 BCHE (0.54) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7607949 0.88 SLC2A1 (0.66) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7607946 0.88 SLC2A1 (0.66) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7613677 0.87 BCHE (0.65) BCHEACHESLC2A1TRPV1MEN1
SCHEMBL7613701 0.85 SLC2A1 (0.60) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7613697 0.85 SLC2A1 (0.60) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7622423 0.85 BCHE (0.55) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7605752 0.85 BCHE (0.58) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7606658 0.85 BCHE (0.55) BCHEACHESLC2A1TRPV1POLB
SCHEMBL7681881 0.85 BCHE (0.58) BCHEACHESLC2A1TRPV1POLB

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