SCHEMBL7607946

SCHEMBL7607946

COc1ccc(NC(=O)/C=C/c2ccsc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.66
MCHR1 Q99705 11/20 0.50
HTR2C P28335 1/20 0.50
BCHE P06276 4/20 0.49
ACHE P22303 3/20 0.49
TRPV1 Q8NER1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 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
SCHEMBL7607949 1.00 SLC2A1 (0.66) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7613701 0.95 SLC2A1 (0.60) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7613697 0.95 SLC2A1 (0.60) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7607954 0.88 BCHE (0.54) SLC2A1BCHEACHETRPV1POLB
SCHEMBL7613669 0.87 SLC2A1 (0.81) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7613674 0.87 SLC2A1 (0.81) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606654 0.87 SLC2A1 (0.68) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606657 0.87 SLC2A1 (0.68) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7607741 0.86 SLC2A1 (0.51) SLC2A1MCHR1BCHEACHETRPV1
SCHEMBL7607738 0.86 SLC2A1 (0.51) SLC2A1MCHR1BCHEACHETRPV1

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