SCHEMBL3365212

SCHEMBL3365212

CCNC(=O)c1csc(Nc2cnc(CN)c3c(OC)cc(OC)cc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.38
AMY1A P0DUB6 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAD52 P43351 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
ABCB1 P08183 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7720978 0.92 DPP4 (0.47) DPP4GAAMAPTAMY1ALMNA
SCHEMBL3361667 0.92 DPP4 (0.48) DPP4GAAMAPTAMY1ALMNA
SCHEMBL3364729 0.90 DPP4 (0.50) DPP4GAAMAPTAMY1ALMNA
SCHEMBL3361788 0.89 DPP4 (0.61) DPP4GAAMAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL3361781 0.88 DPP4 (0.62) DPP4GAAMAPTLMNASMN1; SMN2
SCHEMBL3363380 0.83 DPP4 (0.49) DPP4GAAMAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL3365128 0.82 DPP4 (0.50) DPP4GAAMAPTKDM4EMEN1
SCHEMBL3364042 0.76 DPP4 (0.44) DPP4GAAMAPTLMNAKDM4E
SCHEMBL8361366 0.76 DPP4 (0.48) DPP4MAPTLMNAKDM4EALDH1A1
SCHEMBL3359775 0.74 DPP4 (0.59) DPP4GAALMNASMN1; SMN2HPGD

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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed