SCHEMBL8312031

SCHEMBL8312031

CC(=O)CNCCNc1ccc(C#N)cn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.60
DPP7 Q9UHL4 2/20 0.57
DPP8 Q6V1X1 1/20 0.57
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 1/20 0.42
IDH1 O75874 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41

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
SCHEMBL8313343 0.85 DPP4 (0.56) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL6638863 0.83 DPP4 (0.53) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL651350 0.81 DPP4 (0.54) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL21095681 0.81 DPP4 (0.50) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL1514007 0.80 DPP4 (0.53) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL5489225 0.80 DPP4 (0.74) DPP4DPP7DPP8
SCHEMBL6125342 0.79 DPP4 (0.48) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL4445281 0.79 DPP4 (0.53) DPP4DPP7DPP8GSK3BMEN1
SCHEMBL14136370 0.78 DPP7 (0.47) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL21521629 0.78 DPP7 (0.52) DPP4DPP7DPP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 WO disclosed