SCHEMBL1976

SCHEMBL1976

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Br)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 16/20 0.36
ABCB11 O95342 1/20 0.36
GP6 Q9HCN6 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
AGTR2 P50052 9/20 0.33
PKM P14618 1/20 0.31

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
SCHEMBL8473479 0.90 AGTR1 (0.40) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL2692 0.88 AGTR1 (0.44) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL2400 0.87 AGTR1 (0.48) AGTR1ABCB11GP6LTB4R2
SCHEMBL1975 0.87 AGTR1 (0.48) AGTR1ABCB11GP6LTB4R2
SCHEMBL2780 0.82 FFAR1 (0.35) AGTR1AGTR2PKM
SCHEMBL2529 0.79 AGTR1 (0.53) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL7270257 0.78 AGTR1 (0.55) AGTR1ABCB11GP6LTB4R2
SCHEMBL7270259 0.78 AGTR1 (0.55) AGTR1ABCB11GP6LTB4R2
SCHEMBL2773 0.78 AGTR1 (0.51) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL8477037 0.78 AGTR1 (0.51) AGTR1ABCB11GP6LTB4R2AGTR2

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