SCHEMBL7612936

SCHEMBL7612936

COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.66
BCHE P06276 12/20 0.53
ACHE P22303 11/20 0.53
TRPV1 Q8NER1 2/20 0.53
GCGR P47871 1/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HDAC1 Q13547 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
EGFR P00533 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
SCHEMBL7612941 1.00 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1GCGR
SCHEMBL7618033 0.95 SLC2A1 (0.73) SLC2A1BCHEACHETRPV1GCGR
SCHEMBL7651286 0.95 SLC2A1 (0.73) SLC2A1BCHEACHETRPV1GCGR
SCHEMBL7620250 0.93 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1TP53
SCHEMBL7620249 0.93 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1TP53
SCHEMBL7618326 0.89 SLC2A1 (0.83) SLC2A1BCHEACHE
SCHEMBL7642917 0.89 SLC2A1 (0.83) SLC2A1BCHEACHE
SCHEMBL7618445 0.89 BCHE (0.57) SLC2A1BCHEACHETRPV1GCGR
SCHEMBL7614840 0.89 SLC2A1 (0.64) SLC2A1BCHEACHETRPV1HDAC1
SCHEMBL7614843 0.89 SLC2A1 (0.64) SLC2A1BCHEACHETRPV1HDAC1

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