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Sugi Predict / Compounds / SCHEMBL16239582

SCHEMBL16239582

SCHEMBL16239582

NC(=O)C12CC3C[C@H](C1)C(NC(=O)ON1CCN(c4ccc(N5CCC6(CC5)CC6(F)F)cn4)c4ccccc41)[C@@H](C3)C2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.60
▸ HSD11B2 P80365 3/20 0.60

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
SCHEMBL16208097 0.94 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL16208083 0.91 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL16208099 0.89 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL16208116 0.89 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL16208011 0.88 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL9607925 0.88 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL16208100 0.88 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL16208049 0.87 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL16239473 0.87 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL16208202 0.87 HSD11B1 (0.79) 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-2459549-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 — — EP claimed