SCHEMBL3971316

SCHEMBL3971316

O=C1OC2(CCN(C(=O)C3(c4ccc(-n5ccccc5=O)cc4)CC3)C2)c2ccncc21.O=C1OC2(CCNC2)c2ccncc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.64
CYP2D6 P10635 1/20 0.51
NPY5R Q15761 2/20 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
SCHEMBL350541 0.93 HSD11B1 (0.74) HSD11B1CYP2D6NPY5R
SCHEMBL348235 0.82 HSD11B1 (0.73) HSD11B1CYP2D6NPY5R
SCHEMBL1322520 0.82 HSD11B1 (0.73) HSD11B1CYP2D6NPY5R
SCHEMBL348739 0.81 HSD11B1 (0.74) HSD11B1CYP2D6NPY5R
SCHEMBL350343 0.81 HSD11B1 (0.74) HSD11B1CYP2D6NPY5R
SCHEMBL350519 0.81 HSD11B1 (0.70) HSD11B1CYP2D6NPY5R
SCHEMBL350314 0.81 HSD11B1 (0.70) HSD11B1CYP2D6NPY5R
SCHEMBL350299 0.80 HSD11B1 (0.75) HSD11B1CYP2D6NPY5R
SCHEMBL350119 0.80 HSD11B1 (0.75) HSD11B1CYP2D6NPY5R
SCHEMBL349310 0.80 HSD11B1 (0.78) 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