SCHEMBL9481503

SCHEMBL9481503

CCCCc1nnnn1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.50
AGTR2 P50052 2/20 0.34

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
SCHEMBL9480604 0.87 AGTR1 (0.46) AGTR1
SCHEMBL9309749 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9480594 0.83 AGTR1 (0.44) AGTR1
SCHEMBL9481011 0.82 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9480816 0.82 AGTR1 (0.51) AGTR1
SCHEMBL9308803 0.81 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9310122 0.81 AGTR1 (0.57) AGTR1
SCHEMBL9311437 0.81 AGTR1 (0.56) AGTR1
SCHEMBL9309699 0.81 AGTR1 (0.67) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9426872 0.81 AGTR1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559724-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-15 EP disclosed
WO-1992009600-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-06-11 WO disclosed