SCHEMBL3977568

SCHEMBL3977568

O=C1OC2(CCNC2)c2ccnc(C(=O)C3(c4ccc(N5CCCC5)cc4)CC3)c21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.33
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3972514 0.89 MGLL (0.33) HSD11B1SMN1; SMN2CYP2D6
SCHEMBL3970823 0.88 MAPT (0.36) HSD11B1MAPTSMN1; SMN2
SCHEMBL2973860 0.87 HSD11B1 (0.31) HSD11B1
SCHEMBL3101115 0.87 MAPT (0.40) MAPTHTTSMN1; SMN2
SCHEMBL3970810 0.87 AKT1 (0.32) HSD11B1
SCHEMBL2977992 0.86 PDK2 (0.38) HSD11B1MAPT
SCHEMBL3972108 0.85 HSD11B1 (0.33) HSD11B1
SCHEMBL3974626 0.83 HSD11B1 (0.33) HSD11B1
SCHEMBL3907137 0.82 PDE2A (0.32) NPC1RAB9A
SCHEMBL3977697 0.81 CLK2 (0.35) HSD11B1

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