SCHEMBL7405147

SCHEMBL7405147

CCC(=O)NN1CNc2c1nc[nH]c2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.42
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7209509 0.75 HPRT1 (0.44) HPRT1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1866525 0.71 HPRT1 (0.58) HPRT1HPGDHSD17B10PDE4AADORA2A
SCHEMBL21383159 0.70 HPRT1 (0.48) HPRT1HPGDALDH1A1
SCHEMBL25074075 0.70 HPRT1 (0.43) HPRT1HPGDHSD17B10PDE4AADORA2A
SCHEMBL8768185 0.70 HPRT1 (0.54) HPRT1KDM4EHSD17B10CYP2D6ALDH1A1
SCHEMBL7405149 0.68 HPRT1 (0.47) HPRT1LMNAADORA3ALDH1A1
SCHEMBL7375871 0.68 HPRT1 (0.58) HPRT1KDM4EHSD17B10PDE4APDE4B
SCHEMBL7451801 0.67 HPRT1 (0.45) HPRT1HPGDRAB9ALMNAADORA2A
SCHEMBL23909407 0.67 HPRT1 (0.45) HPRT1RAB9ALMNAADORA2AALDH1A1
SCHEMBL2913487 0.66 HPRT1 (0.59) HPRT1PDE4AADORA2APDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002004449-A2 METHODS FOR TREATMENT OF CONDITIONS AFFECTED BY ACTIVITY OF MULTIDRUG TRANSPORTERS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004451-A2 METHODS FOR STIMULATION OF SYNTHESIS OF SYNAPTOPHYSIN IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed