SCHEMBL5227784

SCHEMBL5227784

CCCn1c(=O)[nH]c(=O)c2[nH]c(CC3CCCC3)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.72
ADORA2A P29274 9/20 0.72
ADORA1 P30542 5/20 0.72
ADORA3 P0DMS8 2/20 0.47
HPGD P15428 1/20 0.47
PDE4A P27815 1/20 0.47
BLM P54132 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL4623457 0.81 ADORA2A (0.59) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL2958488 0.80 ADORA2A (0.58) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL8118476 0.80 ADORA1 (1.00) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL5229734 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL11021594 0.79 ADORA2A (0.53) ADORA2BADORA2AADORA1
SCHEMBL9645577 0.78 ADORA2A (0.55) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL9645551 0.77 ADORA1 (0.95) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL5227560 0.76 ADORA1 (0.90) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL9645161 0.76 ADORA2A (0.54) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL11015546 0.76 ADORA2A (0.54) ADORA2BADORA2AADORA1ADORA3HPGD

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-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 EP disclosed
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 EP disclosed