SCHEMBL5148914

SCHEMBL5148914

CCC(CC)(CN)c1ccc(CC(N)C(=O)N2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.43
▸ DPP7 Q9UHL4 8/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ DPP8 Q6V1X1 2/20 0.43
▸ FAP Q12884 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ OPRD1 P41143 2/20 0.42
▸ AKT1 P31749 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
SCHEMBL5239296 0.84 DPP4 (0.48) DPP4DPP7HDAC8DPP8FAP
Hydrochloric Acid SCHEMBL5151310 0.83 DPP4 (0.47) DPP4DPP7HDAC8DPP8FAP
SCHEMBL23211269 0.79 DPP4 (0.57) DPP4DPP7HDAC8DPP8FAP
SCHEMBL15382612 0.79 DPP4 (0.57) DPP4DPP7HDAC8DPP8FAP
SCHEMBL23211353 0.78 DPP7 (0.56) DPP4DPP7HDAC8DPP8FAP
SCHEMBL23211354 0.78 DPP7 (0.56) DPP4DPP7HDAC8DPP8FAP
SCHEMBL14390395 0.78 HDAC8 (0.67) DPP4DPP7HDAC8OPRD1
SCHEMBL18492870 0.76 DPP4 (0.64) DPP4DPP7HDAC8DPP8FAP
SCHEMBL3136106 0.76 DPP4 (0.64) DPP4DPP7HDAC8DPP8FAP
SCHEMBL10305189 0.76 DPP4 (0.68) DPP4DPP7HDAC8DPP8AKT1

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 5 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
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 — — US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 — — US 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
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