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Sugi Predict / Compounds / SCHEMBL3972417

SCHEMBL3972417

SCHEMBL3972417

O=C1O[C@]2(CCN(C(=O)C3(c4ccc(OCc5cccc(F)c5)cc4)CC3)C2)c2ccncc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 17/20 0.64
▸ CYP2D6 P10635 1/20 0.49
▸ NPY5R Q15761 3/20 0.43

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
SCHEMBL349451 1.00 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL3969697 0.91 HSD11B1 (0.67) HSD11B1CYP2D6NPY5R
SCHEMBL351116 0.91 HSD11B1 (0.67) HSD11B1CYP2D6NPY5R
SCHEMBL349251 0.90 HSD11B1 (0.69) HSD11B1CYP2D6
SCHEMBL350780 0.90 HSD11B1 (0.69) HSD11B1CYP2D6
SCHEMBL349161 0.90 HSD11B1 (0.71) HSD11B1CYP2D6
SCHEMBL350864 0.90 HSD11B1 (0.71) HSD11B1CYP2D6
SCHEMBL351129 0.87 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL349406 0.87 HSD11B1 (0.63) HSD11B1CYP2D6
SCHEMBL351029 0.86 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R

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 disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 — — EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 — — WO disclosed