SCHEMBL5740971

SCHEMBL5740971

[CH2]c1c(CC(C)C)nc(C)c(CC(=O)N2CCOCC2)c1-c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.56
DPP9 Q86TI2 2/20 0.49
DPP8 Q6V1X1 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
FKBP1A P62942 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5740976 0.90 DPP4 (0.56) DPP4DPP9DPP8ALDH1A1LMNA
SCHEMBL5452657 0.87 DPP4 (0.70) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5443095 0.87 DPP4 (0.71) DPP4DPP9DPP8
SCHEMBL5451900 0.85 DPP4 (0.55) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5445509 0.77 DPP4 (0.72) DPP4DPP9DPP8
SCHEMBL5456407 0.76 DPP4 (0.57) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5453632 0.73 DPP4 (0.77) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5449113 0.72 DPP4 (0.56) DPP4DPP9DPP8
SCHEMBL5454427 0.71 DPP4 (0.45) DPP4DPP9DPP8LMNA
Hydrochloric Acid SCHEMBL5445009 0.70 DPP4 (0.78) DPP4DPP9DPP8

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