SCHEMBL8931827

SCHEMBL8931827

CN(C)Cc1nc2cc(-c3ccccc3-c3nn[nH]n3)ccc2n1CCCCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.51
AGTR2 P50052 4/20 0.51
GSTM2 P28161 1/20 0.45

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
SCHEMBL8931793 0.88 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931808 0.85 AGTR1 (0.49) AGTR1AGTR2GSTM2
SCHEMBL8931888 0.82 AGTR1 (0.47) AGTR1AGTR2GSTM2
SCHEMBL8932032 0.81 AGTR1 (0.52) AGTR1AGTR2GSTM2
SCHEMBL8931831 0.81 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7024868 0.80 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7015466 0.77 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8913726 0.76 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8931891 0.76 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931806 0.76 AGTR1 (0.50) AGTR1AGTR2GSTM2

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
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed