SCHEMBL3977352

SCHEMBL3977352

O=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc6sccc6c5)nc4)CC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(-c5cnc6ccccc6c5)nc4)CC3)C2)c2ccncc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.56
CYP2D6 P10635 1/20 0.42
NPY5R Q15761 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL349113 0.94 HSD11B1 (0.61) HSD11B1CYP2D6NPY5R
SCHEMBL347595 0.94 HSD11B1 (0.61) HSD11B1CYP2D6NPY5R
SCHEMBL348959 0.92 HSD11B1 (0.66) HSD11B1CYP2D6NPY5RAKR1C3AKR1C2
SCHEMBL350306 0.92 HSD11B1 (0.66) HSD11B1CYP2D6NPY5RAKR1C3AKR1C2
SCHEMBL349487 0.81 HSD11B1 (0.83) HSD11B1CYP2D6NPY5R
SCHEMBL350246 0.79 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL350378 0.79 HSD11B1 (0.66) HSD11B1CYP2D6NPY5R
SCHEMBL351411 0.79 HSD11B1 (0.60) HSD11B1CYP2D6
SCHEMBL349038 0.79 HSD11B1 (0.60) HSD11B1CYP2D6
SCHEMBL351109 0.79 HSD11B1 (0.82) 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 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