SCHEMBL8931807

SCHEMBL8931807

CCN(CC)c1nc2c(-c3ccccc3-c3nn[nH]n3)cccc2n1CCCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.47
AGTR2 P50052 9/20 0.47
LTB4R2 Q9NPC1 1/20 0.39
GSTM2 P28161 1/20 0.38

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
SCHEMBL8931946 0.86 AGTR1 (0.48) AGTR1AGTR2GSTM2
SCHEMBL8931835 0.82 AGTR1 (0.44) AGTR1AGTR2GSTM2
SCHEMBL8931806 0.78 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931891 0.78 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931841 0.78 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931811 0.77 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8931793 0.75 AGTR1 (0.50) AGTR1AGTR2LTB4R2GSTM2
SCHEMBL8931896 0.73 AGTR1 (0.49) AGTR1AGTR2GSTM2
SCHEMBL8931827 0.70 AGTR1 (0.51) AGTR1AGTR2GSTM2
SCHEMBL8931824 0.69 OPRK1 (0.51)

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