SCHEMBL5239296

SCHEMBL5239296

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.48
▸ HDAC8 Q9BY41 5/20 0.45
▸ DPP7 Q9UHL4 7/20 0.45
▸ DPP8 Q6V1X1 2/20 0.45
▸ FAP Q12884 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ OPRD1 P41143 2/20 0.44

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 SCHEMBL5151310 0.99 DPP4 (0.47) DPP4HDAC8DPP7DPP8FAP
SCHEMBL5148914 0.84 DPP4 (0.43) DPP4HDAC8DPP7DPP8FAP
SCHEMBL23211269 0.81 DPP4 (0.57) DPP4HDAC8DPP7DPP8FAP
SCHEMBL15382612 0.81 DPP4 (0.57) DPP4HDAC8DPP7DPP8FAP
SCHEMBL23211354 0.80 DPP7 (0.56) DPP4HDAC8DPP7DPP8FAP
SCHEMBL23211353 0.80 DPP7 (0.56) DPP4HDAC8DPP7DPP8FAP
SCHEMBL14390395 0.80 HDAC8 (0.67) DPP4HDAC8DPP7OPRD1
SCHEMBL23211484 0.79 DPP4 (0.57) DPP4HDAC8DPP7DPP8FAP
SCHEMBL18492870 0.79 DPP4 (0.64) DPP4HDAC8DPP7DPP8FAP
SCHEMBL3136106 0.79 DPP4 (0.64) DPP4HDAC8DPP7DPP8FAP

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
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