SCHEMBL8020381

SCHEMBL8020381

Nc1ccc(CCn2c(=O)[nH]c(=O)c3[nH]c(C4CCCC4)nc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.68
ADORA2A P29274 5/20 0.68
ADORA1 P30542 7/20 0.65
ADORA3 P0DMS8 3/20 0.47
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL8579784 0.89 ADORA1 (0.65) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL8575318 0.89 ADORA1 (0.65) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL8579120 0.86 ADORA1 (0.64) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL787893 0.81 ADORA2A (1.00) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL8579881 0.81 ADORA1 (0.62) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL8118476 0.79 ADORA1 (1.00) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL9170264 0.79 ADORA1 (0.62) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL8355232 0.78 ADORA3 (0.65) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL5229734 0.78 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL9645551 0.77 ADORA1 (0.95) ADORA2BADORA2AADORA1ADORA3MEN1

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-0970696-A1 Combination of loop diuretics with adenosine A1-receptor antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-01-12 EP claimed
EP-0970696-A1 Combination of loop diuretics with adenosine A1-receptor antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-01-12 EP disclosed