Sugi Predict

Sugi Predict / Compounds / SCHEMBL8912786

SCHEMBL8912786

SCHEMBL8912786

CCCCC(C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C(=O)O)n1cnc2cc(-c3ccccc3-c3nn[nH]n3)cc(C(F)(F)F)c21

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.39
▸ AGTR2 P50052 5/20 0.39

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
SCHEMBL7013119 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8932004 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9230042 0.78 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7018868 0.78 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7021954 0.78 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7018032 0.76 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7018028 0.76 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7022087 0.75 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7102296 0.75 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8912898 0.74 AGTR1 (0.41) 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-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 — — US disclosed