SCHEMBL4623940

SCHEMBL4623940

CCc1nc2c([nH]1)c(=O)n(CCO)c(=O)n2CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.55
PDE1B Q01064 3/20 0.55
PDE1C Q14123 3/20 0.55
PDE5A O76074 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE2A O00408 2/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
ADORA2A P29274 2/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 2/20 0.50

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
SCHEMBL7201941 0.87 SIRT1 (0.62) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL4623475 0.85 PDE1A (0.71) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL9430500 0.80 ADORA2A (0.60) SIRT1SIRT3SIRT5ADORA2AADORA2B
SCHEMBL11069848 0.78 SIRT1 (0.51) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL4622439 0.78 PDE5A (0.73) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL9430688 0.78 PDE1A (0.68) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL9430349 0.77 PDE1A (0.67) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL10855561 0.75 PDE2A (0.73) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL4623650 0.74 ADORA2B (0.80) PDE1APDE1BPDE1CPDE5ACYP1A2
SCHEMBL10963761 0.74 PDE5A (0.60) PDE1APDE1BPDE1CPDE5AMEN1

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 9 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-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 claimed
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 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