SCHEMBL4623640

SCHEMBL4623640

C=CCn1c(=O)n(C)c(=O)c2[nH]cnc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.76
ADORA2B P29275 10/20 0.76
PDE4A P27815 12/20 0.71
PDE4B Q07343 12/20 0.71
PDE4C Q08493 12/20 0.71
PDE4D Q08499 12/20 0.71
ADORA1 P30542 2/20 0.64
CYP1A2 P05177 2/20 0.64
CFTR P13569 2/20 0.64
PDE2A O00408 1/20 0.64
PDE5A O76074 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
SCN1A P35498 1/20 0.64
PDE6C P51160 1/20 0.64
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64
PDE3B Q13370 1/20 0.64
PDE7A Q13946 1/20 0.64

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
SCHEMBL516503 0.87 ADORA2B (1.00) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL8952218 0.84 PDE4A (0.70) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL9429985 0.81 PDE4A (0.85) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL9765669 0.81 PDE4A (1.00) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4623469 0.79 PDE4A (0.68) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL28973353 0.79 ADORA2B (0.76) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL11455885 0.79 ADORA2B (0.69) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL7597430 0.79 ADORA2B (0.82) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL11073850 0.79 ADORA2B (0.78) ADORA2AADORA2BPDE4APDE4BPDE4C
Isobutylmethylxanthine SCHEMBL28814716 0.78 PDE4A (1.00) ADORA2AADORA2BPDE4APDE4BPDE4C

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-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
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
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed