SCHEMBL3966740

SCHEMBL3966740

O=C1OC2(CCN(C(=O)C3(c4ccc(-c5cccc(C(F)(F)F)c5)nc4)CC3)C2)c2ccncc21.O=C1OC2(CCNC2)c2ccncc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.57
NPY5R Q15761 3/20 0.44
CYP2D6 P10635 1/20 0.42

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
SCHEMBL350354 0.94 HSD11B1 (0.65) HSD11B1NPY5RCYP2D6
SCHEMBL348761 0.94 HSD11B1 (0.65) HSD11B1NPY5RCYP2D6
SCHEMBL351099 0.86 HSD11B1 (0.78) HSD11B1NPY5RCYP2D6
SCHEMBL350355 0.86 HSD11B1 (0.78) HSD11B1NPY5RCYP2D6
SCHEMBL349146 0.83 HSD11B1 (0.62) HSD11B1NPY5RCYP2D6
SCHEMBL349415 0.83 HSD11B1 (0.62) HSD11B1NPY5RCYP2D6
SCHEMBL349487 0.82 HSD11B1 (0.83) HSD11B1NPY5RCYP2D6
SCHEMBL348766 0.80 HSD11B1 (0.71) HSD11B1NPY5RCYP2D6
SCHEMBL348210 0.80 HSD11B1 (0.78) HSD11B1NPY5RCYP2D6
SCHEMBL348670 0.80 HSD11B1 (0.65) HSD11B1NPY5RCYP2D6

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