SCHEMBL8905613

SCHEMBL8905613

CCCCc1nc2ccc(N)cc2n1-c1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGT P01019 2/20 0.42
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
ACSS2 Q9NR19 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL8392444 0.91 AGT (0.42) AGTAGTR1AGTR2LMNAMAPK1
SCHEMBL8392162 0.84 AGT (0.40) AGTAGTR1AGTR2
SCHEMBL8789152 0.80 AGT (0.58) AGTAGTR1AGTR2
SCHEMBL8394616 0.79 AGTR1 (0.33) AGTR1AGTR2LMNAMAPK1
SCHEMBL8395430 0.79 AGTR1 (0.48) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8905207 0.76 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8395560 0.76 AGT (0.37) AGTAGTR1AGTR2LMNA
SCHEMBL8393560 0.76 AGT (0.39) AGTAGTR1AGTR2
SCHEMBL8905158 0.75 AGT (0.42) AGTAGTR1AGTR2LMNAMAPK1
SCHEMBL27379821 0.75 AGTR1 (0.41) AGTAGTR1AGTR2LMNAMAPK1

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed