SCHEMBL9079124

SCHEMBL9079124

CCCCCC(=O)N(Cc1ccc2nc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(C(=O)O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 7/20 0.36
AGTR1 P30556 3/20 0.35
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
AGTR2 P50052 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MC4R P32245 2/20 0.30
MC5R P33032 1/20 0.30
MC3R P41968 1/20 0.30
BCHE P06276 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
SCHEMBL8483534 0.98 LTB4R2 (0.37) LTB4R2AGTR1PKMPTGDR2AGTR2
SCHEMBL8488532 0.97 AGTR1 (0.37) LTB4R2AGTR1PKMPTGDR2AGTR2
SCHEMBL8486859 0.95 LTB4R2 (0.34) LTB4R2AGTR1PKMPTGDR2MC4R
SCHEMBL9080460 0.94 LTB4R2 (0.34) LTB4R2AGTR1PKMPTGDR2
SCHEMBL9080766 0.92 OPRM1 (0.34) LTB4R2
SCHEMBL8488672 0.91 PTGDR2 (0.35) LTB4R2AGTR1PKMPTGDR2AGTR2
SCHEMBL8806706 0.90 LTB4R2 (0.34) LTB4R2AGTR1PKMPTGDR2AGTR2
SCHEMBL8912327 0.90 AGTR1 (0.41) LTB4R2AGTR1PKMPTGDR2AGTR2
SCHEMBL8486854 0.88 AGTR1 (0.37) LTB4R2AGTR1PKMPTGDR2AGTR2
SCHEMBL8910347 0.88 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed