SCHEMBL7618019

SCHEMBL7618019

COc1ccc(NC(=O)/C=C/c2cccnc2)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.61
SLC2A1 P11166 1/20 0.60
IMPDH2 P12268 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL7618024 1.00 NAMPT (0.61) NAMPTSLC2A1IMPDH2MEN1KMT2A
SCHEMBL7619205 0.96 SLC2A1 (0.66) NAMPTSLC2A1IMPDH2MEN1KMT2A
SCHEMBL7619200 0.96 SLC2A1 (0.66) NAMPTSLC2A1IMPDH2MEN1KMT2A
SCHEMBL7614840 0.89 SLC2A1 (0.64) SLC2A1IMPDH2MEN1KMT2AKDM4E
SCHEMBL7614843 0.89 SLC2A1 (0.64) SLC2A1IMPDH2MEN1KMT2AKDM4E
SCHEMBL7620256 0.88 NAMPT (0.58) NAMPTSLC2A1IMPDH2MEN1KMT2A
SCHEMBL7618029 0.88 NAMPT (0.58) NAMPTIMPDH2MEN1KMT2AKDM4E
SCHEMBL7620259 0.88 NAMPT (0.58) NAMPTSLC2A1IMPDH2MEN1KMT2A
SCHEMBL7613190 0.86 SLC2A1 (0.57) NAMPTSLC2A1IMPDH2
SCHEMBL7613187 0.86 SLC2A1 (0.57) NAMPTSLC2A1IMPDH2

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 3 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 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