SCHEMBL5712136

SCHEMBL5712136

N=C(Nc1ccc(C[C@H](N)C(=O)N2CCCC2)cc1)N[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP4 P27487 3/20 0.40
GAA P10253 1/20 0.40
FPR2 P25090 4/20 0.40
ALDH1A1 P00352 1/20 0.39
FPR1 P21462 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
AKT1 P31749 2/20 0.39

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
Hydrochloric Acid SCHEMBL6754486 0.99 DPP7 (0.41) DPP7DPP8DPP9DPP4GAA
Hydrochloric Acid SCHEMBL6678227 0.81 SLC7A5 (0.47) ALDH1A1HDAC8
SCHEMBL7299863 0.81 DPP7 (0.43) DPP7DPP8DPP4FPR2FPR1
SCHEMBL5712245 0.80 DPP4 (0.68) DPP7DPP8DPP9DPP4
SCHEMBL5712137 0.80 DPP7 (0.41) DPP7DPP8DPP9DPP4GAA
Hydrochloric Acid SCHEMBL6754480 0.80 DPP4 (0.67) DPP7DPP8DPP9DPP4
SCHEMBL6676206 0.79 ALDH1A1 (0.50) ALDH1A1HDAC8
Hydrochloric Acid SCHEMBL6754491 0.79 DPP7 (0.41) DPP7DPP8DPP9DPP4GAA
SCHEMBL5712165 0.78 PABPC1 (0.48) FPR2FPR1HDAC8
SCHEMBL10885748 0.73 DPP7 (0.42) DPP7DPP8DPP9DPP4HDAC8

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-1258476-B1 Alpha-amino acid derivatives, method for their preparation and their use as dipeptidyl-peptidase IV inhibitors (DPP IV) SERVIER LAB (FR) 2006-06-28 EP disclosed
EP-1258476-A1 Alpha-amino acid derivatives, method for their preparation and their use as dipeptidyl-peptidase IV inhibitors (DPP IV) LES LABORATOIRES SERVIER (FR) 2002-11-20 EP disclosed