SCHEMBL15241492

SCHEMBL15241492

CC(c1ccc(Br)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.83
CYP3A4 P08684 11/20 0.77
CYP2C9 P11712 11/20 0.77
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
SCHEMBL115468 1.00 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL115467 1.00 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL115466 1.00 HSD11B1 (0.83) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL13624883 0.91 HSD11B1 (0.75) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL116720 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL116719 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL116718 0.91 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL13638259 0.90 HSD11B1 (0.73) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL959240 0.88 HSD11B1 (0.79) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL955809 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
EP-2324018-B1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2013-09-04 EP disclosed