SCHEMBL8302824

SCHEMBL8302824

CCCCc1c[nH]c(=O)n1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.38
ADORA2A P29274 11/20 0.38
PDE4B Q07343 11/20 0.38
PDE4C Q08493 11/20 0.38
PDE4D Q08499 11/20 0.38
ADORA2B P29275 6/20 0.36
ADORA3 P0DMS8 3/20 0.36
HPGD P15428 2/20 0.36
ADORA1 P30542 1/20 0.36
BLM P54132 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8293359 0.91 ADORA2B (0.40) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8339196 0.79 MAPT (0.41) HPGDHSD17B10KDM4EMEN1KMT2A
SCHEMBL8340428 0.79 GAA (0.41) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL10720383 0.75 GPR84 (0.49) HPGDHSD17B10GPR84ALDH1A1
SCHEMBL10723004 0.75 GPR84 (0.49) HPGDHSD17B10GPR84ALDH1A1
SCHEMBL7274821 0.71 ADORA2A (0.43) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9118456 0.69 PDE4A (0.44) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL16581427 0.68 ADORA2A (0.48) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8597032 0.67 HRH3 (0.36) HPGDGPR84KDM4EMEN1KMT2A
SCHEMBL13199363 0.67 PDE4A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579766-B1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1999-06-02 EP disclosed