Sugi Predict

Sugi Predict / Compounds / SCHEMBL3971283

SCHEMBL3971283

SCHEMBL3971283

O=C1OC2(CCN(C(=O)C3(c4ccc(-n5cccn5)cc4F)CC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(CCc5ccccn5)cc4)CC3)C2)c2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 17/20 0.54
▸ CYP2D6 P10635 1/20 0.42
▸ AVPR2 P30518 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL351311 0.88 HSD11B1 (0.59) HSD11B1CYP2D6NPY5R
SCHEMBL351075 0.86 HSD11B1 (0.70) HSD11B1CYP2D6NPY5R
SCHEMBL350112 0.86 HSD11B1 (0.70) HSD11B1CYP2D6NPY5R
SCHEMBL350299 0.83 HSD11B1 (0.75) HSD11B1CYP2D6NPY5R
SCHEMBL350119 0.83 HSD11B1 (0.75) HSD11B1CYP2D6NPY5R
SCHEMBL350460 0.79 HSD11B1 (0.67) HSD11B1CYP2D6NPY5R
SCHEMBL349901 0.77 HSD11B1 (0.56) HSD11B1CYP2D6NPY5R
SCHEMBL350083 0.77 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL348570 0.77 HSD11B1 (0.73) HSD11B1CYP2D6NPY5R
SCHEMBL350285 0.77 HSD11B1 (0.73) 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