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Sugi Predict / Compounds / SCHEMBL3971059

SCHEMBL3971059

SCHEMBL3971059

O=C1OC2(CCN(C(=O)C3(c4ccc(-n5cnc6ccccc65)cc4)CCC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(N5CCOC5=O)cc4)CCC3)C2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 17/20 0.54
▸ CYP2D6 P10635 1/20 0.48
▸ NPY5R Q15761 3/20 0.34

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
SCHEMBL350662 0.92 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL350261 0.92 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL349531 0.89 HSD11B1 (0.68) HSD11B1CYP2D6
SCHEMBL350456 0.89 HSD11B1 (0.68) HSD11B1CYP2D6
SCHEMBL348717 0.86 HSD11B1 (0.73) HSD11B1CYP2D6NPY5R
SCHEMBL349136 0.86 HSD11B1 (0.73) HSD11B1CYP2D6NPY5R
SCHEMBL350465 0.84 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL349474 0.84 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL350313 0.82 HSD11B1 (0.70) HSD11B1CYP2D6NPY5R
SCHEMBL351416 0.82 HSD11B1 (0.70) 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 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