SCHEMBL3970262

SCHEMBL3970262

O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-n5cnc6ccccc65)cc4F)CC3)C2)c2ccncc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.55
CYP2D6 P10635 1/20 0.42
NPY5R Q15761 3/20 0.38

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
SCHEMBL351616 1.00 HSD11B1 (0.55) HSD11B1CYP2D6NPY5R
SCHEMBL349531 0.88 HSD11B1 (0.68) HSD11B1CYP2D6
SCHEMBL350456 0.88 HSD11B1 (0.68) HSD11B1CYP2D6
SCHEMBL350662 0.85 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL350261 0.85 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL350962 0.84 HSD11B1 (0.52) HSD11B1CYP2D6NPY5R
SCHEMBL349642 0.83 HSD11B1 (0.75) HSD11B1CYP2D6NPY5R
SCHEMBL349822 0.83 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL349873 0.83 HSD11B1 (0.59) HSD11B1CYP2D6NPY5R
SCHEMBL351074 0.83 HSD11B1 (0.59) HSD11B1CYP2D6NPY5R

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