SCHEMBL13638259

SCHEMBL13638259

Bc1ccc([C@H](C)N2CC[C@](CC(C)(C)C#N)(c3ccccc3)OC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.73
CYP3A4 P08684 10/20 0.73
CYP2C9 P11712 10/20 0.73
CYP2C19 P33261 5/20 0.73

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
SCHEMBL13624883 0.91 HSD11B1 (0.75) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL10308273 0.91 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL15241492 0.90 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL115468 0.90 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL115467 0.90 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL115466 0.90 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL959240 0.88 HSD11B1 (0.79) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL955809 0.88 HSD11B1 (0.79) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL959238 0.88 HSD11B1 (0.79) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL955810 0.88 HSD11B1 (0.79) HSD11B1CYP3A4CYP2C9CYP2C19

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
WO-2009134387-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed