SCHEMBL4078055

SCHEMBL4078055

O=C1O[C@]2(CCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)c2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.60
CYP2D6 P10635 1/20 0.57
NPY5R Q15761 1/20 0.46

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
SCHEMBL350836 1.00 HSD11B1 (0.60) HSD11B1CYP2D6NPY5R
SCHEMBL350549 0.90 HSD11B1 (0.60) HSD11B1CYP2D6NPY5R
SCHEMBL349309 0.90 HSD11B1 (0.71) HSD11B1CYP2D6
SCHEMBL350477 0.89 HSD11B1 (0.59) HSD11B1CYP2D6NPY5R
SCHEMBL349541 0.87 HSD11B1 (0.53) HSD11B1CYP2D6NPY5R
SCHEMBL350743 0.87 HSD11B1 (0.58) HSD11B1CYP2D6NPY5R
SCHEMBL3908614 0.87 HSD11B1 (0.53) HSD11B1CYP2D6NPY5R
SCHEMBL349028 0.87 HSD11B1 (0.67) HSD11B1CYP2D6
SCHEMBL349546 0.87 HSD11B1 (0.67) HSD11B1CYP2D6
SCHEMBL350522 0.87 HSD11B1 (0.55) 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 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