SCHEMBL7614840

SCHEMBL7614840

COc1ccc(NC(=O)/C=C/c2ccncc2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.64
IMPDH2 P12268 1/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
BCHE P06276 10/20 0.51
ACHE P22303 9/20 0.51
TRPV1 Q8NER1 1/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
CNR2 P34972 1/20 0.48
HDAC1 Q13547 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 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
SCHEMBL7614843 1.00 SLC2A1 (0.64) SLC2A1IMPDH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7622418 0.95 SLC2A1 (0.70) SLC2A1IMPDH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7622413 0.95 SLC2A1 (0.70) SLC2A1IMPDH2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7618024 0.89 NAMPT (0.61) SLC2A1IMPDH2KDM4EMEN1RAB9A
SCHEMBL7618019 0.89 NAMPT (0.61) SLC2A1IMPDH2KDM4EMEN1RAB9A
SCHEMBL7612936 0.89 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1POLB
SCHEMBL7620250 0.89 SLC2A1 (0.66) SLC2A1IMPDH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7620249 0.89 SLC2A1 (0.66) SLC2A1IMPDH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7612941 0.89 SLC2A1 (0.66) SLC2A1BCHEACHETRPV1POLB
SCHEMBL7618326 0.87 SLC2A1 (0.83) SLC2A1SMN1; SMN2BCHEACHEMEN1

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