SCHEMBL5229026

SCHEMBL5229026

N#Cc1ccc(C[C@@H](N)C(=O)N2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.66
DPP7 Q9UHL4 11/20 0.64
DPP8 Q6V1X1 10/20 0.64
DPP9 Q86TI2 9/20 0.64
FAP Q12884 8/20 0.64
AKT1 P31749 1/20 0.58
AKT2 P31751 1/20 0.58
AKT3 Q9Y243 1/20 0.58
FPR1 P21462 4/20 0.54
FPR2 P25090 4/20 0.54

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
SCHEMBL5230718 1.00 DPP4 (0.66) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL8647667 0.99 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
SCHEMBL10615090 0.99 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
SCHEMBL7305245 0.99 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
SCHEMBL8390334 0.99 DPP4 (0.65) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL10615092 0.97 DPP4 (0.63) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL8993841 0.97 DPP4 (0.63) DPP4DPP7DPP8DPP9FAP
Trifluoroacetic Acid SCHEMBL5155558 0.92 DPP4 (0.58) DPP4DPP7DPP8DPP9FAP
Trifluoroacetic Acid SCHEMBL5151499 0.92 DPP4 (0.58) DPP4DPP7DPP8DPP9FAP
SCHEMBL8488107 0.89 DPP4 (0.63) DPP4DPP7DPP8DPP9FAP

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-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
EP-1373233-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-02 EP disclosed
WO-2002076964-A1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-03 WO disclosed