SCHEMBL16208191

SCHEMBL16208191

O=C(NC1C2CC3CC(C2)CC1C3)ON1CCN(c2ccc(OC3CCN(C(=O)C4CCOCC4)CC3)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
PIK3CD O00329 17/20 0.39
PIK3CA P42336 17/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL973592 0.87 HSD11B1 (0.45) NAMPTPIK3CDPIK3CAHRH3
SCHEMBL16208093 0.79 HSD11B1 (0.47)
SCHEMBL976942 0.76 NAMPT (0.45) NAMPTPIK3CDPIK3CAHRH3
SCHEMBL16208095 0.74 HSD11B1 (0.60)
SCHEMBL16208085 0.74 HSD11B1 (0.51)
SCHEMBL16208149 0.73 HSD11B1 (0.36)
SCHEMBL16208091 0.72 HSD11B1 (0.58)
SCHEMBL16208130 0.71 HSD11B1 (0.37)
SCHEMBL238252 0.71 L3MBTL1 (0.56) NAMPTHRH3
SCHEMBL16208203 0.71 HSD11B1 (0.48)

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