SCHEMBL7625481

SCHEMBL7625481

COc1ccc(NC(=O)/C=C/c2cccs2)cc1OCCN(C(C)C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
IMPDH2 P12268 1/20 0.47
MCHR1 Q99705 1/20 0.45
MAPT P10636 9/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL7625486 1.00 SLC2A1 (0.48) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7607741 0.86 SLC2A1 (0.51) SLC2A1MCHR1MAPTMEN1KMT2A
SCHEMBL7607738 0.86 SLC2A1 (0.51) SLC2A1MCHR1MAPTMEN1KMT2A
SCHEMBL7614369 0.86 SLC2A1 (0.53) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7614377 0.86 SLC2A1 (0.53) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7618392 0.85 SLC2A1 (0.64) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7618386 0.85 SLC2A1 (0.64) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7616765 0.85 SLC2A1 (0.55) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7616769 0.85 SLC2A1 (0.55) SLC2A1IMPDH2MCHR1MAPTMEN1
SCHEMBL7610671 0.84 SLC2A1 (0.51) SLC2A1IMPDH2MCHR1MAPTMEN1

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 3 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 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