SCHEMBL3361996

SCHEMBL3361996

CCN(Cc1ccncc1)C(=O)Nc1cnc(CN)c2c(OC)cc(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 5/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3362425 0.92 DPP4 (0.50) DPP4GAAHTTTSHRROCK2
SCHEMBL3361514 0.89 GAA (0.44) DPP4GAAHTTTSHRPOLB
SCHEMBL3361700 0.86 DPP4 (0.57) DPP4GAAHTTTSHRPOLB
SCHEMBL7723483 0.85 GAA (0.40) DPP4GAAHTTTSHRPOLB
SCHEMBL3363078 0.82 DPP4 (0.58) DPP4ALDH1A1
SCHEMBL7720962 0.81 DPP4 (0.49) DPP4GAAHTTTSHRROCK2
SCHEMBL3362219 0.80 GAA (0.49) DPP4GAAHTTTSHRPOLB
SCHEMBL3362033 0.78 DPP4 (0.58) DPP4GAAHTTTSHRMEN1
SCHEMBL3366103 0.78 TSHR (0.40) DPP4GAAHTTTSHRROCK2
SCHEMBL3361478 0.74 DPP4 (0.45) DPP4GAAHTTPOLBALDH1A1

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