SCHEMBL8910698

SCHEMBL8910698

O=C(CC1CC1)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(C(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.35
FFAR4 Q5NUL3 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
KCNH2 Q12809 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL8912222 0.90 OPRM1 (0.35) LTB4R2AGTR1AGTR2SLC6A2SLC6A4
SCHEMBL8912399 0.90 FFAR4 (0.34) FFAR4
SCHEMBL8911748 0.90 MEN1 (0.34) FFAR4SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL9080394 0.89 LTB4R2 (0.34) LTB4R2
SCHEMBL8488367 0.89 AGTR1 (0.37) LTB4R2FFAR4AGTR1AGTR2
SCHEMBL8911298 0.89 NPSR1 (0.33) FFAR4
SCHEMBL8813016 0.88 LTB4R2 (0.33) LTB4R2FFAR4
SCHEMBL8482137 0.88 AGTR1 (0.43) LTB4R2AGTR1AGTR2
SCHEMBL8912327 0.87 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL8483446 0.87 AGTR1 (0.43) LTB4R2AGTR1AGTR2

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-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