SCHEMBL9350760

SCHEMBL9350760

CC(=O)Cn1cnc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.62
PDE4B Q07343 11/20 0.62
PDE4C Q08493 11/20 0.62
PDE4D Q08499 11/20 0.62
ADORA2B P29275 3/20 0.62
ADORA2A P29274 1/20 0.62
TRPA1 O75762 2/20 0.52
PDE5A O76074 8/20 0.47
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9350791 0.95 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350777 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350645 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350756 0.94 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350633 0.88 KMT2A (0.57) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9354358 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350631 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350644 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9350638 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL10696123 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369744-B1 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-09-21 EP claimed
US-5321029-A Vascular and skin disorders; bronchodilator BEECHAM-WUELFING GMBH & CO.K.G. (DE) 1994-06-14 US claimed
EP-0369744-A2 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GmbH (DE) 1990-05-23 EP claimed
EP-0369744-B1 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-09-21 EP disclosed
US-5321029-A Vascular and skin disorders; bronchodilator BEECHAM-WUELFING GMBH & CO.K.G. (DE) 1994-06-14 US disclosed
EP-0369744-A2 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GmbH (DE) 1990-05-23 EP disclosed