SCHEMBL7345126

SCHEMBL7345126

COc1cccc(-c2ccc(C[C@H](N)C(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 7/20 0.63
TPH2 Q8IWU9 2/20 0.60
MME P08473 1/20 0.57
MAOB P27338 2/20 0.56
GRIA2 P42262 1/20 0.53
HSD17B2 P37059 1/20 0.52
SLC13A5 Q86YT5 1/20 0.52
SLC7A5 Q01650 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
FFAR1 O14842 1/20 0.51

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
SCHEMBL7345132 1.00 TPH1 (0.63) TPH1TPH2MMEMAOBGRIA2
Hydrochloric Acid SCHEMBL16816868 0.99 TPH1 (0.62) TPH1TPH2MMEMAOBGRIA2
Hydrochloric Acid SCHEMBL16816865 0.99 TPH1 (0.62) TPH1TPH2MMEMAOBGRIA2
SCHEMBL31369825 0.90 GRIA2 (0.66) TPH1GRIA2SLC7A5ALPIPKM
SCHEMBL1676859 0.88 MME (0.56) TPH1TPH2MMEMAOBHSD17B2
SCHEMBL5069330 0.88 MME (0.56) TPH1TPH2MMEMAOBHSD17B2
Hydrochloric Acid SCHEMBL1676855 0.87 MAOB (0.56) TPH1TPH2MMEMAOBHSD17B2
Hydrochloric Acid SCHEMBL1676860 0.87 MAOB (0.56) TPH1TPH2MMEMAOBHSD17B2
SCHEMBL31688639 0.86 GRIA2 (0.64) TPH1GRIA2SLC7A5ALPIPKM
SCHEMBL17892350 0.86 PTAFR (0.54) TPH1TPH2MMEMAOBSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042188-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING HCV INFECTION Tokyo Metropolitan Organization for Medical Research (JP) 2009-04-01 EP disclosed
EP-1908846-A1 METHOD OF PRODUCING COMPOUND HAVING ANTI-HCV ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-04-09 EP disclosed
CN-1301964-C Inhibitors of alpha 4-mediated cell adhesion TANABE SEIYAKU CO (JP) 2007-02-28 CN disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed