SCHEMBL4621732

SCHEMBL4621732

CC(C)CCn1c(=O)[nH]c(=O)c2ncn(C)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
DAO P14920 1/20 0.42
HTT P42858 2/20 0.39
PDE2A O00408 2/20 0.39
ADORA2B P29275 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5647 0.87 ADORA2A (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL190991 0.81 ALDH1A1 (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL23797830 0.80 HTT (0.42) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4624547 0.77 BRD4 (0.52) DAOHTTALDH1A1TSHRHPGD
SCHEMBL4623646 0.77 ADORA2B (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4623473 0.76 PDE4A (0.42) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL13153172 0.76 CYP3A4 (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4322373 0.75 CYP3A4 (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27620326 0.73 CYP3A4 (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL27932628 0.73 CYP3A4 (0.53) ADORA2APDE4APDE4BPDE4CPDE4D

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
EP-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed