SCHEMBL9826366

SCHEMBL9826366

CC(C)(C)OC(=O)CN1C(=O)C(N2C(=O)c3ccccc3C2=O)CSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
CCKBR P32239 3/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8104212 1.00 NPSR1 (0.43) NPSR1CCKBRMAPTSMN1; SMN2
SCHEMBL10670140 0.83 ACE (0.52)
SCHEMBL10670150 0.83 ACE (0.52)
SCHEMBL7369254 0.83 F2 (0.49) NPSR1CCKBR
SCHEMBL7369250 0.83 F2 (0.49) NPSR1CCKBR
SCHEMBL8895762 0.80 CCKBR (0.56) CCKBRMAPTSMN1; SMN2
SCHEMBL10850704 0.77 ACE (0.51)
SCHEMBL10850708 0.77 ACE (0.51)
SCHEMBL19586294 0.76 NPSR1 (0.71) NPSR1
SCHEMBL10668403 0.76 ACE (0.50) NPSR1CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125056-B1 CONDENSED, SEVEN-MEMBERED RING COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-01-16 EP disclosed
US-4739066-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
US-4564612-A ANGIOTENSION CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS, BENZOTHIAZEPINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-14 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0125056-A2 Condensed, seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-11-14 EP disclosed