SCHEMBL1677754

SCHEMBL1677754

CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.65
▸ DPP8 Q6V1X1 4/20 0.65
▸ SCN10A Q9Y5Y9 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ SCN1A P35498 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN3A Q9NY46 1/20 0.46
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ CNR1 P21554 6/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GSK3A P49840 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
SCHEMBL1678198 0.86 KDM4E (0.51) DPP4DPP8KDM4ECNR1CNR2
SCHEMBL12807245 0.79 DPP4 (1.00) DPP4DPP8SCN10A
SCHEMBL14290492 0.73 KMT2A (0.48) KDM4EKMT2AHPGDMEN1LMNA
SCHEMBL12807244 0.72 DPP4 (1.00) DPP4DPP8
SCHEMBL30692923 0.71 MAPK8 (0.48) DPP4DPP8SCN10ASCN1AKCNH2
SCHEMBL20568886 0.71 MAPK8 (0.48) DPP4DPP8SCN10ASCN1AKCNH2
SCHEMBL3061882 0.71 ADORA1 (0.44) DPP4DPP8KDM4EKMT2AHPGD
SCHEMBL28329968 0.70 KDM4E (0.51) KDM4EKMT2AHPGDMEN1LMNA
SCHEMBL293902 0.68 GSK3A (0.44) DPP4DPP8KDM4ECNR1KMT2A
SCHEMBL16571158 0.67 ALOX15 (0.49) DPP4DPP8SCN10AKDM4ECNR2

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
EP-2308847-B1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC MICROCOLLECTIONS GMBH (DE) 2014-04-02 — — EP disclosed
EP-2308847-A1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC microcollections GmbH (DE) 2011-04-13 — — EP disclosed
EP-2308847-A1 Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases EMC microcollections GmbH (DE) 2011-04-13 — — EP disclosed
Send feedback