SCHEMBL5741365

SCHEMBL5741365

Cc1nc(CC(C)C)c(C#N)c(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.55
DPP8 Q6V1X1 3/20 0.55
DPP9 Q86TI2 2/20 0.54
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
MAPT P10636 3/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5448641 0.91 KMT2A (0.46) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5455705 0.91 DPP4 (0.66) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5441585 0.88 FABP3 (0.47) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5449433 0.88 DPP4 (0.54) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5457960 0.86 DPP4 (0.52) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5449831 0.85 ALDH1A1 (0.42) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5457031 0.85 DPP4 (0.51) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5454887 0.84 DPP4 (0.54) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5454601 0.83 DPP4 (0.56) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5444809 0.82 DPP4 (0.57) DPP4DPP8DPP9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed