SCHEMBL9854329

SCHEMBL9854329

C=CCOc1ccc([N+](=O)[O-])c(N(CCCCC)Cc2ccc(-c3ccccc3C#N)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.42
AGTR2 P50052 13/20 0.42
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL9854286 0.89 AGTR1 (0.44) AGTR1AGTR2ACHE
SCHEMBL9854274 0.88 AGTR1 (0.42) AGTR1AGTR2ALDH1A1MAPT
SCHEMBL9854323 0.86 LTB4R2 (0.42) AGTR1
SCHEMBL9854360 0.82 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9854242 0.78 AGTR1 (0.46) AGTR1AGTR2ACHE
SCHEMBL9854296 0.76 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9854279 0.74 LTB4R2 (0.46) AGTR1
SCHEMBL9854272 0.74 LTB4R2 (0.42) AGTR1
SCHEMBL9854253 0.74 AGTR1 (0.45) AGTR1AGTR2ACHE
SCHEMBL8884587 0.73 AGTR1 (0.49) AGTR1AGTR2ALDH1A1MAPT

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