SCHEMBL9310059

SCHEMBL9310059

CCc1ccc2c(C)c(Cc3ccccc3[N+](=O)[O-])c(=O)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
PPARG P37231 1/20 0.39
AR P10275 1/20 0.35

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
SCHEMBL9308926 0.88 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9308540 0.77 MEN1 (0.45) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9347539 0.76 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9402081 0.71 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9402247 0.71 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL12081125 0.70 PPARG (0.48) AGTR1AGTR2PPARG
SCHEMBL12079721 0.70 PPARG (0.44) AGTR1PPARG
SCHEMBL12080748 0.69 PPARG (0.48) AGTR1AGTR2PPARG
SCHEMBL9235907 0.69 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9032421 0.69 AGTR1 (0.53) 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
US-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US disclosed