SCHEMBL16208166

SCHEMBL16208166

CC(C)(C)OC(=O)ON1CCN(c2ccc(N3CCN(C(=O)NC4[C@@H]5CC6C[C@H]4CC(O)(C6)C5)c4ccccc43)nc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.78
HSD11B2 P80365 1/20 0.64
CYP3A4 P08684 1/20 0.44

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
SCHEMBL973931 0.90 HSD11B1 (0.81) HSD11B1HSD11B2CYP3A4
SCHEMBL973930 0.90 HSD11B1 (0.81) HSD11B1HSD11B2CYP3A4
SCHEMBL974109 0.88 HSD11B1 (1.00) HSD11B1HSD11B2CYP3A4
SCHEMBL975298 0.86 HSD11B1 (0.84) HSD11B1HSD11B2CYP3A4
SCHEMBL9607922 0.86 HSD11B1 (0.75) HSD11B1HSD11B2
SCHEMBL973800 0.85 HSD11B1 (0.82) HSD11B1HSD11B2CYP3A4
SCHEMBL973452 0.85 HSD11B1 (0.82) HSD11B1HSD11B2CYP3A4
SCHEMBL974188 0.85 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL974300 0.85 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL973403 0.84 HSD11B1 (0.87) HSD11B1HSD11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP claimed