SCHEMBL8488672

SCHEMBL8488672

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.35
AGTR1 P30556 5/20 0.35
LTB4R2 Q9NPC1 7/20 0.35
PKM P14618 1/20 0.34
AGTR2 P50052 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
ALDH1A1 P00352 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 0.93 LTB4R2 (0.37) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8488532 0.92 AGTR1 (0.37) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL9079124 0.91 LTB4R2 (0.36) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8809843 0.90 PTGDR2 (0.34) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8486732 0.90 AGTR1 (0.41) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8486854 0.89 AGTR1 (0.37) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8809429 0.89 AGTR1 (0.36) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8485119 0.88 PTGDR2 (0.35) PTGDR2AGTR1LTB4R2PKMAGTR2
SCHEMBL8486859 0.88 LTB4R2 (0.34) PTGDR2AGTR1LTB4R2PKMALDH1A1
SCHEMBL8806931 0.88 AGTR1 (0.35) PTGDR2AGTR1LTB4R2PKMAGTR2

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