SCHEMBL16208147

SCHEMBL16208147

CC(C)S(=O)(=O)N1CCN(c2ccc(N3CCN(OC(=O)N[C@]45CC6CC(C4)[C@@H](O)[C@@H](C6)C5)c4ccccc43)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.45
NAMPT P43490 1/20 0.40
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL974201 0.87 HSD11B1 (0.56) HSD11B1NAMPTLMNAGAAHTT
SCHEMBL16208047 0.78 HSD11B1 (0.60) HSD11B1LMNAGAAMEN1KMT2A
SCHEMBL16208020 0.73 HSD11B1 (0.66) HSD11B1
SCHEMBL16208170 0.73 HSD11B1 (0.76) HSD11B1
SCHEMBL16208204 0.72 HSD11B1 (0.65) HSD11B1
SCHEMBL16208215 0.72 HSD11B1 (0.62) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL975640 0.72 HSD11B1 (0.77) HSD11B1
SCHEMBL3665887 0.72 HSD11B1 (0.77) HSD11B1
SCHEMBL16208025 0.72 HSD11B1 (0.65) HSD11B1
SCHEMBL16208161 0.71 HSD11B1 (0.63) 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