SCHEMBL9080394

SCHEMBL9080394

O=C(CC1CC1)N(Cc1ccc2nc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(C(=O)O)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 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
SCHEMBL9080766 0.91 OPRM1 (0.34) LTB4R2
SCHEMBL9081221 0.90
SCHEMBL8486729 0.90 MEN1 (0.35)
SCHEMBL8809941 0.90 LTB4R2 (0.32) LTB4R2
SCHEMBL9079958 0.89 TSHR (0.33)
SCHEMBL8482778 0.89 MEN1 (0.35)
SCHEMBL8486859 0.89 LTB4R2 (0.34) LTB4R2
SCHEMBL8910698 0.89 LTB4R2 (0.35) LTB4R2
SCHEMBL9080460 0.89 LTB4R2 (0.34) LTB4R2
SCHEMBL8483534 0.88 LTB4R2 (0.37) LTB4R2

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