SCHEMBL1987

SCHEMBL1987

CCCC(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.38
MMP9 P14780 5/20 0.37
MMP2 P08253 5/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MMP1 P03956 2/20 0.34
MME P08473 3/20 0.33
AGTR1 P30556 2/20 0.33

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
SCHEMBL443649 0.78 HDAC1 (0.40) ALDH1A1
SCHEMBL443817 0.78 MEN1 (0.43) MMEAGTR1
SCHEMBL8472410 0.78 MME (0.36) MMP9MMP2MMEAGTR1
SCHEMBL8474808 0.77 MME (0.42) MMEAGTR1
SCHEMBL443941 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8472130 0.73 EPHX2 (0.37) MMEAGTR1
SCHEMBL8472795 0.73 MME (0.38) MMEAGTR1
SCHEMBL1989 0.72 AGTR1 (0.40) AGTR1
SCHEMBL1990 0.72 LTB4R2 (0.56) AGTR1
SCHEMBL1988 0.72 LTB4R2 (0.56) AGTR1

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-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed