SCHEMBL9482897

SCHEMBL9482897

CCCCC1NN=C(CO)N1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.42
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL9317772 0.84 AGTR1 (0.41) AGTR1LTB4R2
SCHEMBL9481503 0.77 AGTR1 (0.50) AGTR1
SCHEMBL9311492 0.77 AGTR1 (0.44) AGTR1
SCHEMBL9480604 0.76 AGTR1 (0.46) AGTR1
SCHEMBL9308803 0.76 AGTR1 (0.61) AGTR1
SCHEMBL9482911 0.75
SCHEMBL9534809 0.75 AGTR1 (0.50) AGTR1
SCHEMBL9309749 0.74 AGTR1 (0.49) AGTR1
SCHEMBL9533052 0.73 AGTR1 (0.46) AGTR1
SCHEMBL9480816 0.73 AGTR1 (0.51) 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 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