SCHEMBL5232836

SCHEMBL5232836

CCN(CC)Cc1ccc(CC(N)C(=O)N2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 6/20 0.57
▸ HRH3 Q9Y5N1 3/20 0.48
▸ OPRD1 P41143 2/20 0.46
▸ DPP4 P27487 3/20 0.45
▸ HDAC8 Q9BY41 5/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ DPP8 Q6V1X1 1/20 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 SCHEMBL5151315 0.99 DPP7 (0.56) DPP7HRH3OPRD1DPP4HDAC8
SCHEMBL5148916 0.87 DPP7 (0.49) DPP7OPRD1DPP4HDAC8DPP8
SCHEMBL5229460 0.85 DPP7 (0.59) DPP7HRH3OPRD1DPP4HDAC8
SCHEMBL5230661 0.83 DPP7 (0.64) DPP7HRH3OPRD1DPP4HDAC8
Hydrochloric Acid SCHEMBL5155366 0.82 DPP7 (0.63) DPP7HRH3OPRD1DPP4HDAC8
SCHEMBL23211269 0.81 DPP4 (0.57) DPP7DPP4HDAC8DPP8
SCHEMBL15382612 0.81 DPP4 (0.57) DPP7DPP4HDAC8DPP8
SCHEMBL5148925 0.81 DPP7 (0.46) DPP7OPRD1DPP4HDAC8DPP8
SCHEMBL23211354 0.80 DPP7 (0.56) DPP7DPP4HDAC8DPP8
SCHEMBL23211353 0.80 DPP7 (0.56) DPP7DPP4HDAC8DPP8

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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