SCHEMBL985620

SCHEMBL985620

O=C(Cn1c(=O)[nH]c2nc[nH]c2c1=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.63
ADORA3 P0DMS8 7/20 0.63
ADORA2A P29274 4/20 0.57
PDE4A P27815 4/20 0.57
PDE4B Q07343 4/20 0.57
PDE4C Q08493 4/20 0.57
PDE4D Q08499 4/20 0.57
PNP P00491 1/20 0.43
DAO P14920 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL985624 0.80 PNP (0.66) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL27936350 0.79 ADORA2B (0.49) ADORA2BADORA3ADORA2ADAOKDM4E
SCHEMBL31060278 0.77 ADORA2B (1.00) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL8750700 0.77 ADORA2B (0.59) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL4014471 0.76 ADORA2A (0.63) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL10818065 0.76 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL6267430 0.75 PNP (0.45) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL4602969 0.74 ADORA2B (0.73) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL380135 0.73 ADORA2A (1.00) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5515444 0.73 ADORA2A (0.71) ADORA2BADORA3ADORA2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011005929-A1 PIPERIDINE DERIVATIVE AND ITS USE FOR THE TREATMENT OF DIABETS AND OBESITY ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO claimed
US-20100144613-A1 Combined use of DPP-IV Inhibitors and Gastrin Compounds WARATAH PHARMACEUTICALS, INC. (CA) 2010-06-10 US disclosed
US-20090054314-A1 Combined use of DPP-IV inhibitors and gastrin compounds WARATAH PHARMACEUTICALS INC. (CA) 2009-02-26 US disclosed
WO-2004018467-A3 PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-13 WO disclosed
WO-2004018467-A2 PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed