SCHEMBL27362689

SCHEMBL27362689

CCCCC(=O)N(Cc1ccc(-c2ccccc2)c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 1/20 0.39
LTB4R2 Q9NPC1 14/20 0.38
AGT P01019 2/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL9854268 0.94 AGTR1 (0.43) AGTR1AGTR2LTB4R2AGT
SCHEMBL27360548 0.90 AGTR1 (0.41) AGTR1AGTR2LTB4R2AGT
SCHEMBL9854283 0.83 AGTR1 (0.45) AGTR1AGTR2LTB4R2AGT
SCHEMBL9854271 0.80 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL9588562 0.79 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL5180024 0.76 AGTR1 (0.53) AGTR1AGTR2LTB4R2AGT
SCHEMBL29205122 0.73 AGTR1 (0.54) AGTR1AGTR2LTB4R2AGT
SCHEMBL29205124 0.73 AGTR1 (0.54) AGTR1AGTR2LTB4R2AGT
SCHEMBL5789793 0.73 AGTR1 (0.41) AGTR1AGTR2LTB4R2AGT
SCHEMBL9854265 0.72 LTB4R2 (0.47) AGTR1LTB4R2

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
CN-1051358-A Condensed imdazole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-05-15 CN disclosed