SCHEMBL28752124

SCHEMBL28752124

CC(C)=CCn1c(N2CCCC(NC(=O)CO)C2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.70
KMT2A Q03164 2/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CHRM1 P11229 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM3 P20309 1/20 0.55
KCNH2 Q12809 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL27582946 0.93 DPP4 (0.68) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27718248 0.93 DPP4 (0.70) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL28749943 0.92 DPP4 (0.73) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27583122 0.91 DPP4 (0.72) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL28752102 0.90 DPP4 (0.74) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27739234 0.90 DPP4 (0.71) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27583107 0.90 DPP4 (0.70) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL554754 0.88 DPP4 (0.76) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27600590 0.88 DPP4 (0.68) DPP4KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27583088 0.87 DPP4 (0.67) DPP4KMT2ALMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101293888-B Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA 2013-09-25 CN disclosed
CN-101293888-A Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA (DE) 2008-10-29 CN disclosed
CN-100408579-C Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2008-08-06 CN disclosed
CN-1492870-A Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-28 CN disclosed