SCHEMBL9846764

SCHEMBL9846764

CCCCc1nccn1Cc1ccc2[nH]c(-c3ccccc3C(=O)O)c(C=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.62
AGTR2 P50052 3/20 0.62
BRS3 P32247 2/20 0.41

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
SCHEMBL9846687 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9846721 0.88 AGTR1 (0.64) AGTR1AGTR2BRS3
SCHEMBL9846728 0.80 AGTR1 (0.67) AGTR1AGTR2BRS3
SCHEMBL9846722 0.80 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL27317908 0.77 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL9309709 0.76 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL27520457 0.76 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL9309700 0.75 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9309933 0.75 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9309923 0.74 AGTR1 (0.67) 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