SCHEMBL16208149

SCHEMBL16208149

O=C(NC1C2CC3CC(C2)CC1C3)ON1CCN(c2ccc(OCc3ncccn3)cc2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.36
EPHX2 P34913 2/20 0.35
BACE1 P56817 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL973233 0.85 HSD11B1 (0.48) HSD11B1
SCHEMBL16208130 0.84 HSD11B1 (0.37) HSD11B1
SCHEMBL16208217 0.79 HSD11B1 (0.36) HSD11B1EPHX2BACE1CNR1CNR2
SCHEMBL16208160 0.76 HSD11B1 (0.49) HSD11B1
SCHEMBL16207937 0.74 HSD11B1 (0.62) HSD11B1EPHX2
SCHEMBL16208191 0.73 NAMPT (0.42)
SCHEMBL975332 0.73 CNR2 (0.45) HSD11B1EPHX2CNR2
SCHEMBL16208093 0.72 HSD11B1 (0.47) HSD11B1CNR2
SCHEMBL16208070 0.72 HSD11B1 (0.49) HSD11B1
SCHEMBL16208051 0.70 HSD11B1 (0.51) HSD11B1

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