SCHEMBL9139865

SCHEMBL9139865

CCCCc1ncc(COC(C)=O)n1Cc1ccc(-n2cccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.48

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
SCHEMBL7625017 0.83 AGTR1 (0.63) AGTR1
SCHEMBL8434329 0.79 AGTR1 (0.55) AGTR1
SCHEMBL8434213 0.78 AGTR1 (0.56) AGTR1
SCHEMBL7622990 0.76 AGTR1 (0.52) AGTR1
SCHEMBL7630059 0.76 AGTR1 (0.48) AGTR1
SCHEMBL7628768 0.75 — —
SCHEMBL9139807 0.75 AGTR1 (0.51) AGTR1
SCHEMBL6972578 0.75 — —
SCHEMBL7621589 0.74 AGTR1 (0.59) AGTR1
SCHEMBL7628739 0.74 AGTR1 (0.64) AGTR1

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-5451597-A Hypotensive agents, congestive heart failure G.D. SEARLE & CO. (US) 1995-09-19 — — US claimed
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