SCHEMBL985622

SCHEMBL985622

O=C(Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.51
MAPT P10636 8/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
XDH P47989 2/20 0.45
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.40
GLA P06280 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
HPGD P15428 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
CES1 P23141 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
SCHEMBL31336166 0.78 ADORA2B (0.51) ADORA2BRAB9ASMN1; SMN2KMT2AXDH
SCHEMBL6358016 0.77 PNP (0.57) ADORA2BMAPTKMT2AXDH
SCHEMBL7326384 0.76 MAPT (0.43) ADORA2BMAPTPOLBXDHALDH1A1
SCHEMBL6267424 0.76 PNP (0.64)
SCHEMBL7035603 0.75 ADORA2B (0.55) ADORA2BMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4014478 0.72 MAPT (0.40) ADORA2BMAPTXDHALDH1A1HPGD
SCHEMBL31438586 0.72 MAPT (0.48) ADORA2BMAPTRAB9AMEN1KMT2A
SCHEMBL7530553 0.69 MAPT (0.46) ADORA2BMAPTRAB9AXDHALDH1A1
SCHEMBL5849893 0.69 MAPT (0.78) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL380136 0.69 MAPT (0.48) ADORA2BMAPTL3MBTL1XDHALDH1A1

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