SCHEMBL8958538

SCHEMBL8958538

CCCC(=O)N(Cc1ccc(-c2ccccc2)c(C#N)c1)c1ncc(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.35
WNT3A P56704 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CD274 Q9NZQ7 4/20 0.34
PDCD1 Q15116 3/20 0.34
NR1H4 Q96RI1 3/20 0.33
XDH P47989 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CYP19A1 P11511 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL8873614 0.90 LTB4R2 (0.40) LTB4R2AGTR1AGTR2
SCHEMBL8958402 0.87 XDH (0.36) LTB4R2WNT3AFFAR4CD274PDCD1
SCHEMBL8958386 0.87 NR1H4 (0.40) WNT3ANR1H4
SCHEMBL8874016 0.86 LTB4R2 (0.45) LTB4R2AGTR1
SCHEMBL8958731 0.84 XDH (0.36) LTB4R2FFAR4CD274PDCD1NR1H4
SCHEMBL8872011 0.81 LTB4R2 (0.40) LTB4R2NR1H4AGTR1AGTR2
SCHEMBL8872739 0.78 LTB4R2 (0.52) LTB4R2AGTR1AGTR2
SCHEMBL8958439 0.78 NR1H4 (0.40) NR1H4
SCHEMBL8872878 0.77 LTB4R2 (0.40) LTB4R2AGTR1
SCHEMBL8872931 0.77 ABL1 (0.37) NR1H4

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-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed