SCHEMBL7608569

SCHEMBL7608569

COc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.65
MCHR1 Q99705 10/20 0.54
HTR2C P28335 1/20 0.54
IMPDH2 P12268 1/20 0.53
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 2/20 0.52
THRB P10828 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.48
MAOB P27338 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL7608566 1.00 SLC2A1 (0.65) SLC2A1MCHR1HTR2CIMPDH2MAPT
SCHEMBL7608313 0.90 SLC2A1 (0.59) SLC2A1MCHR1HTR2CMAPTSMN1; SMN2
SCHEMBL7608309 0.90 SLC2A1 (0.59) SLC2A1MCHR1HTR2CMAPTSMN1; SMN2
SCHEMBL7606974 0.90 SLC2A1 (0.64) SLC2A1MCHR1HTR2CMAPTSMN1; SMN2
SCHEMBL7606980 0.90 SLC2A1 (0.64) SLC2A1MCHR1HTR2CMAPTSMN1; SMN2
SCHEMBL7609657 0.88 SLC2A1 (0.58) SLC2A1MCHR1HTR2CMAPTTP53
SCHEMBL7609652 0.88 SLC2A1 (0.58) SLC2A1MCHR1HTR2CMAPTTP53
SCHEMBL7608573 0.87 BCHE (0.54) SLC2A1MCHR1IMPDH2MAPTSMN1; SMN2
SCHEMBL7613674 0.87 SLC2A1 (0.81) SLC2A1MCHR1HTR2CSMN1; SMN2MEN1
SCHEMBL7613669 0.87 SLC2A1 (0.81) SLC2A1MCHR1HTR2CSMN1; SMN2MEN1

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