SCHEMBL7613697

SCHEMBL7613697

COc1ccc(NC(=O)/C=C/c2ccsc2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.60
BCHE P06276 14/20 0.50
ACHE P22303 13/20 0.50
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HTR2C P28335 1/20 0.45
MCHR1 Q99705 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
SCHEMBL7613701 1.00 SLC2A1 (0.60) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7607949 0.95 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7607946 0.95 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7613705 0.88 BCHE (0.54) SLC2A1BCHEACHETRPV1POLB
SCHEMBL7613354 0.87 SLC2A1 (0.51) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7613357 0.87 SLC2A1 (0.51) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7614843 0.86 SLC2A1 (0.64) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7614840 0.86 SLC2A1 (0.64) SLC2A1BCHEACHETRPV1SMN1; SMN2
SCHEMBL7612941 0.86 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1POLB
SCHEMBL7620250 0.86 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1SMN1; SMN2

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