SCHEMBL3969697

SCHEMBL3969697

O=C1O[C@]2(CCN(C(=O)C3(c4ccc(OCc5ccc(F)cc5)cc4)CC3)C2)c2ccncc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.67
CYP2D6 P10635 1/20 0.51
RORC P51449 1/20 0.43
NPY5R Q15761 1/20 0.41

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
SCHEMBL351116 1.00 HSD11B1 (0.67) HSD11B1CYP2D6RORCNPY5R
SCHEMBL350864 0.93 HSD11B1 (0.71) HSD11B1CYP2D6RORC
SCHEMBL349161 0.93 HSD11B1 (0.71) HSD11B1CYP2D6RORC
SCHEMBL350083 0.93 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL348961 0.91 HSD11B1 (0.64) HSD11B1CYP2D6
SCHEMBL349451 0.91 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL351029 0.91 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL3972417 0.91 HSD11B1 (0.64) HSD11B1CYP2D6NPY5R
SCHEMBL348383 0.91 HSD11B1 (0.64) HSD11B1CYP2D6
SCHEMBL349775 0.91 HSD11B1 (0.65) 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