SCHEMBL7607741

SCHEMBL7607741

COc1ccc(NC(=O)C=Cc2ccsc2)cc1OCCN(C(C)C)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
MCHR1 Q99705 1/20 0.46
METAP2 P50579 4/20 0.44
BCHE P06276 7/20 0.43
ACHE P22303 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GCGR P47871 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7607738 1.00 SLC2A1 (0.51) SLC2A1MCHR1METAP2BCHEACHE
SCHEMBL7614377 0.87 SLC2A1 (0.53) SLC2A1MCHR1METAP2BCHEACHE
SCHEMBL7614369 0.87 SLC2A1 (0.53) SLC2A1MCHR1METAP2BCHEACHE
SCHEMBL7616769 0.87 SLC2A1 (0.55) SLC2A1MCHR1BCHEACHESMN1; SMN2
SCHEMBL7616765 0.87 SLC2A1 (0.55) SLC2A1MCHR1BCHEACHESMN1; SMN2
SCHEMBL7607949 0.86 SLC2A1 (0.66) SLC2A1MCHR1BCHEACHESMN1; SMN2
SCHEMBL7607946 0.86 SLC2A1 (0.66) SLC2A1MCHR1BCHEACHESMN1; SMN2
SCHEMBL7625481 0.86 SLC2A1 (0.48) SLC2A1MCHR1BCHEACHESMN1; SMN2
SCHEMBL7625486 0.86 SLC2A1 (0.48) SLC2A1MCHR1BCHEACHESMN1; SMN2
SCHEMBL7614302 0.86 SLC2A1 (0.49) SLC2A1MCHR1METAP2BCHEACHE

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