SCHEMBL7609652

SCHEMBL7609652

COc1ccc(NC(=O)/C=C/c2ccc(F)cc2Cl)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
MCHR1 Q99705 13/20 0.47
HTR2C P28335 1/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 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
SCHEMBL7609657 1.00 SLC2A1 (0.58) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7612305 0.96 SLC2A1 (0.53) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7612312 0.96 SLC2A1 (0.53) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7613216 0.93 SLC2A1 (0.51) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7613221 0.93 SLC2A1 (0.51) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7609658 0.91 SLC2A1 (0.59) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7609651 0.91 SLC2A1 (0.59) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7608309 0.91 SLC2A1 (0.59) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7608313 0.91 SLC2A1 (0.59) SLC2A1MCHR1HTR2CTP53MAPT
SCHEMBL7612381 0.90 SLC2A1 (0.60) 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