SCHEMBL9023802

SCHEMBL9023802

CC(C)(CC(=O)NC1CCc2ccccc2N(CCc2ccccc2)C1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 5/20 0.58
▸ ACE P12821 6/20 0.49
▸ MME P08473 3/20 0.49
▸ SCN9A Q15858 3/20 0.47
▸ NPY1R P25929 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL9024580 0.95 XIAP (0.59) XIAPACEMMESCN9ANPY1R
SCHEMBL9024759 0.91 XIAP (0.57) XIAPACEMMESCN9ANPY1R
SCHEMBL9024198 0.84 XIAP (0.66) XIAPACEMMENPY1R
SCHEMBL9025448 0.83 GHSR (0.55) XIAPNPY1R
SCHEMBL9024904 0.83 GHSR (0.55) XIAPACEMMENPY1R
SCHEMBL9023926 0.83 GHSR (0.55) XIAPACEMMENPY1R
SCHEMBL9087738 0.82 GHSR (0.56) XIAPNPY1R
SCHEMBL9024266 0.82 GHSR (0.53) XIAPSCN9ANPY1R
SCHEMBL9025136 0.82 GHSR (0.53) XIAPNPY1R
SCHEMBL9024480 0.81 GHSR (0.53) XIAPNPY1R

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
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 — — EP 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
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