SCHEMBL7486160

SCHEMBL7486160

CC(C)(C)OC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.72
NPY1R P25929 1/20 0.57
SCN9A Q15858 1/20 0.57

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
SCHEMBL7486156 1.00 CCKBR (0.72) CCKBRNPY1RSCN9A
SCHEMBL7564700 0.92 CCKBR (0.63) CCKBRSCN9A
SCHEMBL7598390 0.92 CCKBR (0.63) CCKBRSCN9A
SCHEMBL8673708 0.92 ACE (0.66) CCKBRNPY1RSCN9A
SCHEMBL11050154 0.92 ACE (0.66) CCKBRNPY1RSCN9A
SCHEMBL11182642 0.89 CCKBR (0.59) CCKBRSCN9A
SCHEMBL7084907 0.87 CCKBR (0.63) CCKBRNPY1R
SCHEMBL4797202 0.85 PYGL (0.55) CCKBR
SCHEMBL4797181 0.85 PYGL (0.55) CCKBR
SCHEMBL9600943 0.84 CCKBR (1.00) CCKBRNPY1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed