SCHEMBL4122052

SCHEMBL4122052

O=C(O)CCS(=O)(=O)N1CC2(CCNCC2)c2ccccc2[C@@H]1C(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.35
HSD11B2 P80365 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
SCHEMBL4114112 0.85 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL4132799 0.83 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL4124959 0.81 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL4128533 0.78 HSD11B1 (0.34) HSD11B1HSD11B2
SCHEMBL4108958 0.70 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL4120245 0.70 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL1223475 0.69 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL4425222 0.68 HSD11B1 (0.32) HSD11B1HSD11B2
SCHEMBL4118605 0.66 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL4117101 0.64 HSD11B1 (0.42) 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