SCHEMBL8931954

SCHEMBL8931954

CCCCCCC(C(=O)O)(c1ccccc1-c1nn[nH]n1)n1c(C)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.42
AGTR2 P50052 5/20 0.42

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
SCHEMBL8931838 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8931818 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931810 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931792 0.82 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931850 0.82 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931987 0.81 LTB4R2 (0.41) AGTR1AGTR2
SCHEMBL8931904 0.79 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931832 0.77 LTB4R2 (0.45) AGTR1AGTR2
SCHEMBL8931921 0.75 LTB4R2 (0.43) AGTR1AGTR2
SCHEMBL8931908 0.73 AGTR1 (0.39) 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
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed