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Sugi Predict / Compounds / SCHEMBL16208178

SCHEMBL16208178

SCHEMBL16208178

O=C(OCc1ccccc1)ON1CCC(S(=O)(=O)N2CCN(c3ccc(N4CCN(C(=O)NC5[C@@H]6CC7C[C@H]5CC(O)(C7)C6)c5ccccc54)cc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.65
▸ HSD11B2 P80365 1/20 0.41

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
SCHEMBL16208172 0.92 HSD11B1 (0.66) HSD11B1HSD11B2
SCHEMBL974648 0.91 HSD11B1 (0.67) HSD11B1HSD11B2
SCHEMBL975281 0.91 HSD11B1 (0.67) HSD11B1HSD11B2
SCHEMBL973346 0.87 HSD11B1 (0.84) HSD11B1HSD11B2
SCHEMBL973668 0.85 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL973700 0.84 HSD11B1 (0.68) HSD11B1HSD11B2
SCHEMBL973699 0.84 HSD11B1 (0.68) HSD11B1HSD11B2
SCHEMBL974606 0.83 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL10297228 0.80 HSD11B1 (0.85) HSD11B1HSD11B2
SCHEMBL973711 0.80 HSD11B1 (0.85) 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