SCHEMBL9350653

SCHEMBL9350653

CC(O)Cn1cnc2c1c(=O)n(CC1CCC1)c(=O)n2CC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE4A P27815 8/20 0.46
PDE4B Q07343 8/20 0.46
PDE4C Q08493 8/20 0.46
PDE4D Q08499 8/20 0.46
PDE5A O76074 5/20 0.46
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40

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
SCHEMBL9350699 0.98 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL9350777 0.82 PDE4A (0.60) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL9350672 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9350645 0.80 PDE4A (0.60) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL9350631 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9350756 0.79 PDE4A (0.59) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL11610849 0.79 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL10694067 0.79 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1NPSR1PDE4A
SCHEMBL9350791 0.78 PDE4A (0.58) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9350760 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A

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