SCHEMBL2965494

SCHEMBL2965494

O=C1Nc2cnccc2C2(CCN(C(=O)C3(c4cccc(Br)c4)CC3)C2)O1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.54
CYP2D6 P10635 1/20 0.42
AKT1 P31749 2/20 0.40

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
Trifluoroacetic Acid SCHEMBL349886 0.94 HSD11B1 (0.49) HSD11B1CYP2D6AKT1
SCHEMBL1320211 0.89 HSD11B1 (0.59) HSD11B1CYP2D6AKT1
SCHEMBL1320090 0.87 HSD11B1 (0.51) HSD11B1CYP2D6
Trifluoroacetic Acid SCHEMBL351108 0.83 HSD11B1 (0.54) HSD11B1CYP2D6
SCHEMBL1322797 0.83 HSD11B1 (0.73) HSD11B1CYP2D6
SCHEMBL1320077 0.83 HSD11B1 (0.59) HSD11B1CYP2D6
Trifluoroacetic Acid SCHEMBL349668 0.82 HSD11B1 (0.47) HSD11B1CYP2D6
SCHEMBL1320152 0.81 HSD11B1 (0.57) HSD11B1CYP2D6
SCHEMBL1320863 0.81 HSD11B1 (0.57) HSD11B1CYP2D6
SCHEMBL1321590 0.79 HSD11B1 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US claimed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP claimed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-7776874-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2010-08-17 US disclosed