SCHEMBL9859406

SCHEMBL9859406

CCCCc1nc(Cl)c(CN(C)C(=O)O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.39

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
SCHEMBL9309493 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9309566 0.89 MME (0.41) AGTR1
SCHEMBL3473992 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9310315 0.87 MME (0.39) AGTR1
SCHEMBL9309564 0.87 AGTR1 (0.40) AGTR1AGTR2
Water SCHEMBL9311609 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9309187 0.87 MME (0.39) AGTR1
SCHEMBL9309139 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9311172 0.85 GP6 (0.35) AGTR1AGTR2
SCHEMBL9310619 0.85 AGTR1 (0.38) 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-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed