SCHEMBL16207993

SCHEMBL16207993

CS(=O)(=O)N1CCC(Oc2ncc(N3CCN(OC(=O)NC4[C@@H]5CC6C[C@H]4CC(O)(C6)C5)c4ccccc43)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.57
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL16208095 0.89 HSD11B1 (0.60) HSD11B1CYP3A4CYP2C19
SCHEMBL16208216 0.89 HSD11B1 (0.69) HSD11B1CYP3A4CYP2C19
SCHEMBL973451 0.88 HSD11B1 (0.71) HSD11B1
SCHEMBL16208168 0.85 HSD11B1 (0.69) HSD11B1
SCHEMBL16208144 0.85 HSD11B1 (0.78) HSD11B1
SCHEMBL16208170 0.84 HSD11B1 (0.76) HSD11B1CYP3A4CYP2C19
SCHEMBL16208219 0.84 HSD11B1 (0.78) HSD11B1CYP3A4CYP2C19
SCHEMBL16208053 0.82 HSD11B1 (0.64) HSD11B1CYP3A4CYP2C19
SCHEMBL16208139 0.81 HSD11B1 (0.62) HSD11B1CYP3A4CYP2C19
SCHEMBL16208068 0.81 HSD11B1 (0.71) HSD11B1CYP3A4CYP2C19

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