SCHEMBL8482148

SCHEMBL8482148

CCCCC(=O)N(Cc1ccc2nc(-c3ccccc3C#N)ccc2c1)CC(CC)(CC)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 9/20 0.36
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
AGTR1 P30556 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AGTR2 P50052 1/20 0.31
GRM2 Q14416 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
SCHEMBL8486538 0.84 PTGDR2 (0.36) LTB4R2PKMPTGDR2AGTR1HDAC3
SCHEMBL8911110 0.83 LTB4R2 (0.34) LTB4R2PKMAGTR1TSHR
SCHEMBL8482791 0.80 HRH3 (0.34) AGTR1ALDH1A1LMNATSHRNPSR1
SCHEMBL8482788 0.79 PTPN1 (0.34) ALDH1A1GRM2
SCHEMBL8487085 0.78 LTB4R2 (0.36) LTB4R2PKMPTGDR2AGTR1HDAC3
SCHEMBL8808766 0.76 LTB4R2 (0.35) LTB4R2PKMPTGDR2AGTR1HDAC3
SCHEMBL8486942 0.75 LTB4R2 (0.35) LTB4R2PKMAGTR1ALDH1A1LMNA
SCHEMBL2515 0.75 LTB4R2 (0.49) LTB4R2AGTR1
SCHEMBL8485848 0.74 LTB4R2 (0.41) LTB4R2PTGDR2AGTR1
SCHEMBL8486521 0.73 AGTR1 (0.40) LTB4R2PKMPTGDR2AGTR1AGTR2

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