SCHEMBL5151172

SCHEMBL5151172

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 2/20 0.39
▸ CPB2 Q96IY4 1/20 0.38
▸ SLC7A5 Q01650 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 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
▸ EPHX2 P34913 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PYCR1 P32322 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ CSK P41240 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL5155245 0.87 HDAC8 (0.45) TPH1SLC7A5L3MBTL1ALDH1A1LMNA
SCHEMBL7960935 0.86 SLC7A5 (0.48) TPH1CPB2SLC7A5ALDH1A1MMP8
SCHEMBL5154261 0.85 HDAC1 (0.47) TPH1CPB2SLC7A5L3MBTL1ALDH1A1
SCHEMBL5150706 0.81 HRH3 (0.47) TPH1SLC7A5L3MBTL1ALDH1A1LMNA
SCHEMBL9967935 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAMMP8
SCHEMBL14139328 0.81 SLC7A5 (0.44) TPH1CPB2SLC7A5L3MBTL1ALDH1A1
SCHEMBL21117856 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAMMP8
SCHEMBL20543461 0.81 SLC7A5 (0.44) TPH1SLC7A5ALDH1A1LMNAMMP8
SCHEMBL5151662 0.80 ALDH1A1 (0.44) TPH1SLC7A5L3MBTL1ALDH1A1LMNA
L-Tyrosine Ethylester SCHEMBL9327871 0.80 SLC7A5 (0.61) TPH1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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