Sugi Predict

Sugi Predict / Compounds / SCHEMBL4117101

SCHEMBL4117101

SCHEMBL4117101

CCOC(=O)N1CC2(CCNCC2)c2ccccc2[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.42
▸ HSD11B2 P80365 4/20 0.42
▸ OPRM1 P35372 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL4116886 0.89 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2
SCHEMBL4118605 0.87 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2
SCHEMBL4121307 0.86 HSD11B1 (0.45) HSD11B1HSD11B2EPHX2
SCHEMBL4113273 0.85 HSD11B1 (0.40) HSD11B1HSD11B2OPRM1EPHX2
SCHEMBL4114874 0.83 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2
SCHEMBL4119003 0.83 HSD11B1 (0.40) HSD11B1HSD11B2EPHX2
SCHEMBL4120245 0.81 HSD11B1 (0.43) HSD11B1HSD11B2EPHX2
SCHEMBL4108958 0.79 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2
SCHEMBL4114112 0.77 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL4124959 0.72 HSD11B1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 — — EP disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 — — WO disclosed