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Sugi Predict / Compounds / SCHEMBL3978009

SCHEMBL3978009

SCHEMBL3978009

CC(C)c1nc(-c2ccc(C3(C(=O)c4nccc5c4C(=O)OC54CCNC4)CC3)cc2)cs1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ IDH1 O75874 4/20 0.31

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
SCHEMBL3970455 0.89 ELOVL1 (0.35) ELOVL1HSD11B1NPY5RCFTR
SCHEMBL3970704 0.88 HSD11B1 (0.33) ELOVL1HSD11B1NPY5RCFTR
SCHEMBL3970810 0.80 AKT1 (0.32) HSD11B1
SCHEMBL3099585 0.78 HSD11B1 (0.39) HSD11B1NPY5R
SCHEMBL2973860 0.78 HSD11B1 (0.31) HSD11B1
SCHEMBL3095009 0.77 NAMPT (0.39) HSD11B1
SCHEMBL3907137 0.77 PDE2A (0.32) —
SCHEMBL3977568 0.77 HSD11B1 (0.33) HSD11B1
SCHEMBL3974626 0.76 HSD11B1 (0.33) HSD11B1
SCHEMBL3972108 0.75 HSD11B1 (0.33) HSD11B1

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
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 — — EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 — — EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 — — WO claimed