SCHEMBL5229460

SCHEMBL5229460

NC(Cc1ccc(CN(CCO)CCO)cc1)C(=O)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 6/20 0.59
▸ DPP4 P27487 4/20 0.44
▸ HDAC8 Q9BY41 6/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ PLAUR Q03405 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL5151498 0.93 DPP7 (0.55) DPP7DPP4HDAC8DPP8DPP9
SCHEMBL5232836 0.85 DPP7 (0.57) DPP7DPP4HDAC8HRH3DPP8
Hydrochloric Acid SCHEMBL5151315 0.84 DPP7 (0.56) DPP7DPP4HDAC8HRH3DPP8
SCHEMBL5151505 0.81 DPP7 (0.50) DPP7DPP4HDAC8HRH3DPP8
SCHEMBL5230661 0.80 DPP7 (0.64) DPP7DPP4HDAC8HRH3DPP8
SCHEMBL14390395 0.79 HDAC8 (0.67) DPP7DPP4HDAC8OPRD1
Hydrochloric Acid SCHEMBL5155366 0.79 DPP7 (0.63) DPP7DPP4HDAC8HRH3DPP8
SCHEMBL5148916 0.78 DPP7 (0.49) DPP7DPP4HDAC8DPP8OPRD1
SCHEMBL23211269 0.77 DPP4 (0.57) DPP7DPP4HDAC8DPP8DPP9
SCHEMBL3136106 0.77 DPP4 (0.64) DPP7DPP4HDAC8DPP8DPP9

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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