SCHEMBL7609658

SCHEMBL7609658

COc1ccc(NC(=O)C=Cc2ccc(F)cc2F)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
MCHR1 Q99705 13/20 0.49
HTR2C P28335 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7609651 1.00 SLC2A1 (0.59) SLC2A1MCHR1HTR2CCA12CA1
SCHEMBL7612377 0.94 SLC2A1 (0.60) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7612381 0.94 SLC2A1 (0.60) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7609652 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7609657 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606797 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CCA12CA1
SCHEMBL7620216 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CCA12CA1
SCHEMBL7620213 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CCA12CA1
SCHEMBL7606792 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CCA12CA1
SCHEMBL7655078 0.88 SLC2A1 (0.73) SLC2A1MCHR1HTR2CBCHEACHE

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