SCHEMBL9846774

SCHEMBL9846774

CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])c(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
AGTR2 P50052 2/20 0.45

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
SCHEMBL9846716 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9846719 0.82
SCHEMBL9846723 0.82 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9846782 0.81 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9846742 0.76 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9846718 0.74 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9309664 0.74 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL7299700 0.74 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9846698 0.74 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7299689 0.73 AGTR1 (0.69) 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