SCHEMBL7936969

SCHEMBL7936969

CCCCN(CCC1CCCCC1)Cc1ccc(C(=O)O[C@@H](CCSC)C(=O)OC)c(-c2ccccc2C)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.71
FNTB P49356 1/20 0.71
BCHE P06276 1/20 0.43

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
SCHEMBL6624402 0.89 FNTA (0.55) FNTAFNTB
SCHEMBL628947 0.87 FNTA (0.87) FNTAFNTB
SCHEMBL10192961 0.86 FNTA (0.67) FNTAFNTBBCHE
SCHEMBL629302 0.83 FNTA (1.00) FNTAFNTB
SCHEMBL629301 0.83 FNTA (1.00) FNTAFNTB
SCHEMBL6625778 0.82 FNTA (0.58) FNTAFNTB
SCHEMBL629682 0.80 FNTA (0.69) FNTAFNTBBCHE
SCHEMBL7937659 0.80 FNTA (0.50) FNTAFNTB
SCHEMBL629703 0.80 FNTA (0.79) FNTAFNTB
SCHEMBL10192967 0.79 FNTA (0.74) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248919-B1 E.G., (2S)-2-(((5-((BUTYL(2-CYCLOHEXYLETHYL)AMINO)METHYL) -2'-METHYL(1,1'-BIPHENYL)-2-YL)CARBONYL)AMINO)-4-(METHYLSULFAN YL)BUTANOIC ACID, OR A PHARMACEUTICALLY ACCEPTABLE SALT OR PRODRUG THEREOF. ABBOTT LABORATORIES 2001-06-19 US disclosed