SCHEMBL8626455

SCHEMBL8626455

CC(C)(CC(=O)NC1CCc2[nH]ccc2NC1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ CRBN Q96SW2 9/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ DDB1 Q16531 6/20 0.33
▸ JAK1 P23458 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MAPK10 P53779 1/20 0.32

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
SCHEMBL8621049 0.84 CRBN (0.38) IDO1RIPK1GAACRBNEPHX2
SCHEMBL9025748 0.83 PYGL (0.47) RIPK1EPHX2
SCHEMBL8329105 0.83 PYGL (0.47) RIPK1EPHX2
SCHEMBL9024319 0.81 RIPK1 (0.39) RIPK1CRBNEPHX2
SCHEMBL9024163 0.80 SCN9A (0.39) RIPK1
SCHEMBL9025611 0.80 PYGL (0.36) RIPK1CRBNEPHX2DDB1
SCHEMBL9024887 0.80 RIPK1 (0.40) RIPK1
SCHEMBL9025845 0.80 RIPK1 (0.46) RIPK1
SCHEMBL9025399 0.80 CRBN (0.38) IDO1RIPK1CRBNEPHX2DDB1
SCHEMBL9024217 0.79 RIPK1 (0.41) RIPK1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789587-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1998-08-04 — — US disclosed
US-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 — — US disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 — — WO disclosed
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