SCHEMBL5155245

SCHEMBL5155245

CCOC(=O)C(N)Cc1ccc(CN(CC)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.45
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ TPH1 P17752 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.39
▸ CAPN1 P07384 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MMP8 P22894 1/20 0.38

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
SCHEMBL5150706 0.88 HRH3 (0.47) HRH3ALOX15ACHETPH1L3MBTL1
SCHEMBL5151662 0.87 ALDH1A1 (0.44) HRH3ALOX15ACHETPH1L3MBTL1
SCHEMBL7960935 0.87 SLC7A5 (0.48) PKMTPH1SLC7A5ALDH1A1MMP8
SCHEMBL5151172 0.87 TPH1 (0.39) PKMTPH1L3MBTL1SLC7A5ALDH1A1
SCHEMBL5154261 0.84 HDAC1 (0.47) HDAC8HDAC6PKMALOX15ACHE
SCHEMBL9967935 0.82 SLC7A5 (0.44) PKMTPH1SLC7A5ALDH1A1LMNA
SCHEMBL14139328 0.82 SLC7A5 (0.44) PKMTPH1L3MBTL1SLC7A5ALDH1A1
SCHEMBL21117856 0.82 SLC7A5 (0.44) PKMTPH1SLC7A5ALDH1A1LMNA
SCHEMBL20543461 0.82 SLC7A5 (0.44) PKMTPH1SLC7A5ALDH1A1LMNA
L-Tyrosine Ethylester SCHEMBL9327871 0.81 SLC7A5 (0.61) HDAC8TPH1SLC7A5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1297546-C N- (arylsulfonyl) -beta-amino acid derivatives with substituted aminomethyl group, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-31 — — CN 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
CN-1541211-A Derivatives of N-(arylsulfonyl) beta-aminoacids comprising substituted aminomethyl group, prepn. method thereof and pharmaceutical compsns. contg same ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-10-27 — — CN 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
Send feedback