SCHEMBL8488367

SCHEMBL8488367

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.37
LTB4R2 Q9NPC1 6/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
PKM P14618 1/20 0.32
AGTR2 P50052 2/20 0.31
ABCB11 O95342 1/20 0.31
GP6 Q9HCN6 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8482137 0.95 AGTR1 (0.43) AGTR1LTB4R2PTGDR2PKMAGTR2
SCHEMBL8912327 0.95 AGTR1 (0.41) AGTR1LTB4R2PTGDR2PKMAGTR2
SCHEMBL8483446 0.95 AGTR1 (0.43) AGTR1LTB4R2PTGDR2PKMAGTR2
SCHEMBL8912222 0.94 OPRM1 (0.35) AGTR1LTB4R2PTGDR2AGTR2
SCHEMBL8489272 0.90 MEN1 (0.33) AGTR1AGTR2FFAR4
SCHEMBL8486859 0.89 LTB4R2 (0.34) AGTR1LTB4R2PTGDR2PKM
SCHEMBL8486836 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8910698 0.89 LTB4R2 (0.35) AGTR1LTB4R2AGTR2FFAR4
SCHEMBL9080460 0.88 LTB4R2 (0.34) AGTR1LTB4R2PTGDR2PKM
SCHEMBL8811670 0.88 AGTR1 (0.36) AGTR1LTB4R2PTGDR2PKMAGTR2

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
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
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