Sugi Predict

Sugi Predict / Compounds / SCHEMBL3972038

SCHEMBL3972038

SCHEMBL3972038

O=C1O[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC(F)C3)C2)c2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.83
▸ CYP2D6 P10635 1/20 0.83
▸ NPY5R Q15761 2/20 0.49

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
SCHEMBL348497 1.00 HSD11B1 (0.83) HSD11B1CYP2D6NPY5R
SCHEMBL348496 1.00 HSD11B1 (0.83) HSD11B1CYP2D6NPY5R
SCHEMBL349648 0.92 HSD11B1 (0.83) HSD11B1CYP2D6NPY5R
SCHEMBL349647 0.92 HSD11B1 (0.83) HSD11B1CYP2D6NPY5R
SCHEMBL350329 0.91 HSD11B1 (1.00) HSD11B1CYP2D6
SCHEMBL347562 0.91 HSD11B1 (1.00) HSD11B1CYP2D6
SCHEMBL349019 0.90 HSD11B1 (0.94) HSD11B1CYP2D6
SCHEMBL350307 0.90 HSD11B1 (0.94) HSD11B1CYP2D6
SCHEMBL349105 0.90 HSD11B1 (0.94) HSD11B1CYP2D6
SCHEMBL350252 0.90 HSD11B1 (0.94) 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