SCHEMBL9023683

SCHEMBL9023683

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCc2ccccc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.52
▸ SCN9A Q15858 12/20 0.49
▸ CXCR3 P49682 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ PSMB8 P28062 1/20 0.45
▸ PSMB9 P28065 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ CCKAR P32238 1/20 0.44
▸ CCKBR P32239 1/20 0.44
▸ CACNA1C Q13936 2/20 0.44

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
SCHEMBL15414301 0.87 SCN9A (0.54) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL15414303 0.87 SCN9A (0.54) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL15414247 0.87 SCN9A (0.54) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL9025396 0.85 SCN9A (0.53) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL9025761 0.84 SCN9A (0.68) SCN9ACCKARCCKBR
SCHEMBL9024344 0.83 ACE (0.46) ACE
SCHEMBL9025395 0.83 PYGL (0.46) ACEIDO1
SCHEMBL29481025 0.82 PYGL (0.50) SCN9AIDO1CACNA1C
SCHEMBL9024786 0.81 PYGL (0.47) ACE
SCHEMBL15414265 0.80 SCN9A (0.47) SCN9AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 — — EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 — — US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 — — US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 — — EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 — — WO disclosed
Send feedback