SCHEMBL9615014

SCHEMBL9615014

CCc1nc2c(c(=O)n(CC)c(=O)n2CC(C)C)n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.58
ADORA3 P0DMS8 5/20 0.57
ADORA2A P29274 4/20 0.55
ADORA2B P29275 3/20 0.53
PDE5A O76074 2/20 0.52
LMNA P02545 2/20 0.48
CASP1 P29466 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9707700 0.81 AGTR1 (0.42) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1945463 0.81 ADORA3 (0.65) ADORA1ADORA3ADORA2AADORA2BPDE5A
SCHEMBL13789814 0.79 PDE5A (0.85) PDE5ATSHRHSD17B10
SCHEMBL13789817 0.78 PDE5A (0.85) PDE5ATSHRHSD17B10
SCHEMBL555828 0.77 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BPDE5A
SCHEMBL9708698 0.77 ADORA3 (0.43) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3235728 0.76 MAPT (0.49) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL9708209 0.76 AGTR1 (0.41) ADORA1ADORA3
SCHEMBL13789821 0.76 PDE5A (0.53) ADORA1ADORA3ADORA2APDE5ALMNA
SCHEMBL13789758 0.75 PDE5A (0.64) ADORA1ADORA3PDE5ATSHRHSD17B10

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-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