SCHEMBL9859908

SCHEMBL9859908

CCc1nc(C)c(C(=O)O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.32
AGTR2 P50052 1/20 0.31

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
Hydrochloric Acid SCHEMBL9309853 0.99 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9309539 0.94 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9309706 0.93 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9309541 0.92
SCHEMBL9309007 0.92 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9309518 0.92 AGTR1 (0.38) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9310047 0.91 AGTR1 (0.33) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9310132 0.91
SCHEMBL9694875 0.91
SCHEMBL8550462 0.90

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