SCHEMBL8809889

SCHEMBL8809889

CCCCC(=O)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(OC(=O)O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.42
LTB4R2 Q9NPC1 6/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
ABCB11 O95342 1/20 0.35
GP6 Q9HCN6 1/20 0.35
AGTR2 P50052 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL9564272 0.99 AGTR1 (0.41) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL8812951 0.98 AGTR1 (0.40) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL8811670 0.95 AGTR1 (0.36) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL8811985 0.93 AGTR1 (0.39) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL8812419 0.93 OPRM1 (0.34) AGTR1PTGDR2
SCHEMBL7278225 0.92 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8813693 0.90 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL8809429 0.89 AGTR1 (0.36) AGTR1LTB4R2PTGDR2AGTR2PKM
SCHEMBL8811459 0.89 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL8482137 0.89 AGTR1 (0.43) AGTR1LTB4R2PTGDR2ABCB11GP6

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 4 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
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP claimed
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed