SCHEMBL9859899

SCHEMBL9859899

CCc1nc(C)c(C(=O)O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.56

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 SCHEMBL9309845 0.99 AGTR1 (0.56) AGTR1
SCHEMBL9309530 0.94 AGTR1 (0.61) AGTR1
SCHEMBL9309521 0.93 AGTR1 (0.53) AGTR1
SCHEMBL9309699 0.93 AGTR1 (0.67) AGTR1
SCHEMBL9309504 0.92 AGTR1 (0.67) AGTR1
SCHEMBL9309003 0.92 AGTR1 (0.64) AGTR1
Hydrochloric Acid SCHEMBL9310039 0.91 AGTR1 (0.51) AGTR1
Hydrochloric Acid SCHEMBL9309817 0.91 AGTR1 (0.49) AGTR1
SCHEMBL9694864 0.91 AGTR1 (0.51) AGTR1
SCHEMBL9616613 0.90 AGTR1 (0.57) AGTR1

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