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Sugi Predict / Compounds / SCHEMBL9846789

SCHEMBL9846789

SCHEMBL9846789

CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1ccc2c(c1)c(Br)c(-c1ccccc1-c1nnn[nH]1)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 5/20 0.46
▸ AGTR2 P50052 4/20 0.43

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
SCHEMBL9846790 0.87 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9846782 0.85 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9846804 0.84 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9309276 0.81 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL12991377 0.80 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9194480 0.78 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL12990909 0.78 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL9310374 0.77 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9310183 0.77 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9846741 0.76 AGTR2 (0.52) 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-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 — — EP disclosed