SCHEMBL9589686

SCHEMBL9589686

CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.73
AGTR2 P50052 19/20 0.73

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
SCHEMBL9591336 0.91 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9590303 0.91 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9591527 0.91 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9589750 0.91 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9591504 0.88 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9591915 0.88 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL9591141 0.88 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL7048946 0.87 AGTR1 (0.72) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9589709 0.86 AGTR1 (0.72) AGTR1AGTR2
Potassium SCHEMBL9589729 0.86 AGTR1 (0.71) 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-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 US disclosed