SCHEMBL3972514

SCHEMBL3972514

O=C1OC2(CCNC2)c2ccnc(C(=O)C3(c4ccc(N5CCC(F)(F)C5)cc4)CC3)c21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
HSD11B1 P28845 7/20 0.33
HDAC4 P56524 1/20 0.33
SYK P43405 2/20 0.31
QPCT Q16769 1/20 0.31
MAP3K12 Q12852 1/20 0.31
CYP2D6 P10635 3/20 0.30
USP2 O75604 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 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
SCHEMBL3977697 0.90 CLK2 (0.35) HSD11B1MAP3K12ALDH1A1HPGDHSD17B10
SCHEMBL3977568 0.89 HSD11B1 (0.33) HSD11B1CYP2D6SMN1; SMN2
SCHEMBL3970810 0.83 AKT1 (0.32) HSD11B1ALDH1A1
SCHEMBL3970823 0.83 MAPT (0.36) HSD11B1SYKALDH1A1MAPK1CYP2C19
SCHEMBL2977992 0.82 PDK2 (0.38) HSD11B1
SCHEMBL3972108 0.82 HSD11B1 (0.33) HSD11B1ALDH1A1MAPK1
SCHEMBL3101115 0.81 MAPT (0.40) ALDH1A1HPGDMAPK1SMN1; SMN2HSD17B10
SCHEMBL2973860 0.81 HSD11B1 (0.31) HSD11B1
SCHEMBL3907137 0.80 PDE2A (0.32)
SCHEMBL3974626 0.79 HSD11B1 (0.33) HSD11B1HDAC4

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