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Sugi Predict / Compounds / SCHEMBL3975472

SCHEMBL3975472

SCHEMBL3975472

CC(C)C(=O)N1CC=C(c2ccc(C3(C(=O)c4nccc5c4C(=O)OC54CCN(C(=O)C5(c6ccc(/C=C/c7ccccn7)cc6)CC5)C4)CC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 17/20 0.45
▸ CYP2D6 P10635 1/20 0.37
▸ NAMPT P43490 3/20 0.35

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
SCHEMBL3095009 0.80 NAMPT (0.39) HSD11B1NAMPT
SCHEMBL349006 0.77 HSD11B1 (0.64) HSD11B1CYP2D6NAMPT
SCHEMBL348403 0.77 HSD11B1 (0.64) HSD11B1CYP2D6NAMPT
SCHEMBL349180 0.77 HSD11B1 (0.65) HSD11B1CYP2D6NAMPT
SCHEMBL348606 0.73 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL348607 0.73 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL350902 0.73 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL350901 0.73 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL3972826 0.71 NAMPT (0.36) HSD11B1NAMPT
SCHEMBL350559 0.69 HSD11B1 (0.67) HSD11B1CYP2D6

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