SCHEMBL8809681

SCHEMBL8809681

CCCCC(=O)N(Cc1ccc2sc(-c3ccccc3-c3nnn[nH]3)cc2c1)CC(CC)(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.41
LTB4R2 Q9NPC1 5/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
PKM P14618 1/20 0.34
ABCB11 O95342 1/20 0.33
GP6 Q9HCN6 1/20 0.33
AGTR2 P50052 2/20 0.32

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
SCHEMBL8484103 0.86 AGTR1 (0.47) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL8486521 0.84 AGTR1 (0.40) AGTR1LTB4R2PTGDR2PKMABCB11
SCHEMBL3087 0.84 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8810049 0.83 AGTR1 (0.39) AGTR1LTB4R2PTGDR2PKMABCB11
SCHEMBL8807538 0.81 AGTR1 (0.52) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL8910748 0.80 AGTR1 (0.36) AGTR1LTB4R2PTGDR2PKMAGTR2
SCHEMBL8805767 0.79 AGTR1 (0.34) AGTR1LTB4R2PTGDR2PKM
SCHEMBL8487512 0.77 AGTR1 (0.46) AGTR1LTB4R2PTGDR2PKMABCB11
SCHEMBL8486075 0.76 AGTR1 (0.36) AGTR1LTB4R2PTGDR2PKMAGTR2
SCHEMBL2230 0.75 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP claimed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed