SCHEMBL9842996

SCHEMBL9842996

CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc2sc(-c3ccccc3C#N)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.51
AGTR2 P50052 4/20 0.51

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
SCHEMBL9842885 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9842906 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL29726834 0.80 AGTR2 (0.60) AGTR1AGTR2
SCHEMBL21083981 0.80 AGTR2 (0.60) AGTR1AGTR2
SCHEMBL9309324 0.78 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL29726897 0.78 AGTR2 (0.57) AGTR1AGTR2
SCHEMBL21083741 0.78 AGTR2 (0.57) AGTR1AGTR2
SCHEMBL9309107 0.77 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9309565 0.77 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL21083842 0.76 AGTR2 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430709-A2 Benzthiophen derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 EP disclosed