SCHEMBL9854253

SCHEMBL9854253

CCCCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1ncc(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.45
AGTR2 P50052 14/20 0.45
ACHE P22303 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
SCHEMBL9854296 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8874016 0.85 LTB4R2 (0.45) AGTR1
SCHEMBL9854242 0.84 AGTR1 (0.46) AGTR1AGTR2ACHE
SCHEMBL8873614 0.83 LTB4R2 (0.40) AGTR1AGTR2
SCHEMBL9854360 0.80 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8872931 0.79 ABL1 (0.37)
SCHEMBL9854286 0.76 AGTR1 (0.44) AGTR1AGTR2ACHE
SCHEMBL8872997 0.75 LTB4R2 (0.45) AGTR1
SCHEMBL9854329 0.74 AGTR1 (0.42) AGTR1AGTR2ACHE
SCHEMBL9854274 0.74 AGTR1 (0.42) AGTR1AGTR2

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
EP-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed