SCHEMBL9480600

SCHEMBL9480600

CCCCc1cc(COC)nn1Cc1ccc2c(-c3ccccc3-c3nnn[nH]3)oc(Br)c2c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
PTGER1 P34995 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
SCHEMBL9480594 0.90 AGTR1 (0.44) AGTR1PTGER1
SCHEMBL9480617 0.84 AGTR1 (0.35) AGTR1
SCHEMBL9480359 0.82 PTGER1 (0.44) AGTR1PTGER1
SCHEMBL9308930 0.81 AGTR1 (0.47) AGTR1
SCHEMBL9468527 0.79 AGTR1 (0.33) AGTR1
SCHEMBL9468514 0.78 AGTR1 (0.30) AGTR1
SCHEMBL9468607 0.78 AGTR1 (0.30) AGTR1
SCHEMBL9309756 0.78 AGTR1 (0.43) AGTR1
SCHEMBL9480816 0.76 AGTR1 (0.51) AGTR1PTGER1
SCHEMBL9482291 0.75 AGTR1 (0.46) AGTR1PTGER1

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