SCHEMBL9350658

SCHEMBL9350658

CC(=O)CCn1cnc2[nH]c(=O)n(CC3CC3)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 7/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PARN O95453 1/20 0.40
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
ACHE P22303 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL9350776 0.88 PDE4A (0.43) CNOT7PDE4APDE4BPDE4CPDE4D
SCHEMBL7403404 0.80 ALDH1A1 (0.57) PDE4APDE4BPDE4CPDE4DGRIN1
SCHEMBL27537551 0.80 GRIN1 (0.43) CNOT7PARNGRIN1GRIN2B
SCHEMBL10694966 0.80 PDE4A (0.48) CNOT7PDE4APDE4BPDE4CPDE4D
SCHEMBL17682309 0.79 CNOT7 (0.39) CNOT7PARNGRIN1GRIN2BLMNA
SCHEMBL17682308 0.79 CNOT7 (0.39) CNOT7PARNGRIN1GRIN2BLMNA
SCHEMBL21861608 0.77 TRPA1 (0.53) CNOT7PDE4APDE4BPDE4CPDE4D
SCHEMBL9350644 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7397785 0.74 GRIN1 (0.53) CNOT7PDE4APDE4BPDE4CPDE4D
SCHEMBL9351786 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA

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 3 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 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