SCHEMBL7608313

SCHEMBL7608313

COc1ccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
MCHR1 Q99705 11/20 0.49
HTR2C P28335 1/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL7608309 1.00 SLC2A1 (0.59) SLC2A1ALDH1A1GLAHPGDMCHR1
SCHEMBL7620213 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CMAPTTP53
SCHEMBL7620216 0.91 SLC2A1 (0.58) SLC2A1MCHR1HTR2CMAPTTP53
SCHEMBL7609652 0.91 SLC2A1 (0.58) SLC2A1ALDH1A1MCHR1HTR2CMAPT
SCHEMBL7609657 0.91 SLC2A1 (0.58) SLC2A1ALDH1A1MCHR1HTR2CMAPT
SCHEMBL7608569 0.90 SLC2A1 (0.65) SLC2A1ALDH1A1MCHR1HTR2CMEN1
SCHEMBL7608566 0.90 SLC2A1 (0.65) SLC2A1ALDH1A1MCHR1HTR2CMEN1
SCHEMBL7615429 0.88 SLC2A1 (0.73) SLC2A1ALDH1A1MCHR1HTR2CMEN1
SCHEMBL7615423 0.88 SLC2A1 (0.73) SLC2A1ALDH1A1MCHR1HTR2CMEN1
SCHEMBL7608320 0.87 ALDH1A1 (0.49) SLC2A1ALDH1A1GLAHPGDMCHR1

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