SCHEMBL7614271

SCHEMBL7614271

COc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
IMPDH2 P12268 2/20 0.51
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
KDM4E B2RXH2 1/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 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
SCHEMBL7614269 1.00 SLC2A1 (0.52) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7607919 0.93 SLC2A1 (0.53) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7607923 0.93 SLC2A1 (0.53) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7610119 0.89 SLC2A1 (0.52) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7610122 0.89 SLC2A1 (0.52) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7618411 0.89 MEN1 (0.54) SLC2A1LMNAKMT2AMAPTCA12
SCHEMBL7618408 0.89 MEN1 (0.54) SLC2A1LMNAKMT2AMAPTCA12
SCHEMBL7612332 0.88 SLC2A1 (0.53) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7612324 0.88 SLC2A1 (0.53) SLC2A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7614275 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAKMT2A

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