SCHEMBL1034593

SCHEMBL1034593

CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)OC2C3CC4CC2CC(C(=O)NI)(C4)C3)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.52
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL1770825 0.89 HSD11B1 (0.61) HSD11B1
SCHEMBL12596510 0.89 HSD11B1 (0.61) HSD11B1
SCHEMBL1770826 0.89 HSD11B1 (0.61) HSD11B1
SCHEMBL1031701 0.89 HSD11B1 (0.61) HSD11B1
SCHEMBL1034421 0.89 HSD11B1 (0.51) HSD11B1CYP2C9CYP3A4CYP2D6
SCHEMBL12596502 0.78 HSD11B1 (0.56) HSD11B1CYP2C9
SCHEMBL12596499 0.78 HSD11B1 (0.53) HSD11B1CYP2C9
SCHEMBL12596824 0.78 HSD11B1 (0.55) HSD11B1
SCHEMBL1032585 0.77 HSD11B1 (0.59) HSD11B1CYP2C9CYP3A4CYP2D6
SCHEMBL1771382 0.77 HSD11B1 (0.59) HSD11B1CYP2C9CYP3A4CYP2D6

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-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed