SCHEMBL5228935

SCHEMBL5228935

NC(Cc1ccc(CN2CCCCC2)cc1)C(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ DPP7 Q9UHL4 6/20 0.51
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ DPP8 Q6V1X1 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.49
▸ ACACB O00763 1/20 0.48
▸ DPP4 P27487 1/20 0.48

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
SCHEMBL13499186 1.00 HRH3 (0.54) HRH3ALDH1A1KDM4EHPGDDPP7
Hydrochloric Acid SCHEMBL5151486 0.99 HRH3 (0.52) HRH3ALDH1A1KDM4EHPGDDPP7
SCHEMBL5059867 0.84 AKT1 (0.60) DPP4
SCHEMBL23211354 0.84 DPP7 (0.56) HPGDDPP7HDAC8DPP8DPP4
SCHEMBL18492863 0.84 DPP4 (0.62) DPP7HDAC8DPP8DPP4
SCHEMBL23211353 0.84 DPP7 (0.56) HPGDDPP7HDAC8DPP8DPP4
SCHEMBL31754288 0.83 SLC7A5 (0.57) HRH3ALDH1A1KDM4EHDAC8HDAC1
SCHEMBL8077871 0.83 HDAC8 (0.68) HPGDDPP7HDAC8DPP8DPP4
SCHEMBL1039399 0.83 HDAC8 (0.68) HPGDDPP7HDAC8DPP8DPP4
SCHEMBL14390395 0.83 HDAC8 (0.67) DPP7HDAC8DPP4

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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