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Sugi Predict / Compounds / SCHEMBL16208201

SCHEMBL16208201

SCHEMBL16208201

NC(=O)C12CC3C[C@H](C1)C(NC(=O)ON1CCN(c4ccc(N5CCN(S(=O)(=O)C6CC6)CC5)cc4)c4ccccc41)[C@@H](C3)C2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.65
▸ HSD11B2 P80365 1/20 0.48

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
SCHEMBL16208041 0.95 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL16208187 0.92 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL16208072 0.91 HSD11B1 (0.66) HSD11B1HSD11B2
SCHEMBL16207966 0.91 HSD11B1 (0.70) HSD11B1HSD11B2
SCHEMBL16208060 0.91 HSD11B1 (0.79) HSD11B1HSD11B2
SCHEMBL16208161 0.89 HSD11B1 (0.63) HSD11B1
SCHEMBL16208208 0.89 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL16207932 0.89 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL16207965 0.88 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL16208050 0.88 HSD11B1 (0.60) 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-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 — — EP claimed