SCHEMBL9599497

SCHEMBL9599497

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

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.74
AGTR2 P50052 18/20 0.74

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
SCHEMBL7939345 0.87 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9589609 0.86 AGTR1 (0.73) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9589182 0.86 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL9590303 0.86 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9589686 0.86 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9591336 0.86 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9590124 0.85 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9591527 0.85 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9589750 0.85 AGTR1 (0.73) AGTR1AGTR2
Methylamine SCHEMBL9590818 0.85 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