SCHEMBL13077091

SCHEMBL13077091

C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)N)(c2ccc(F)cc2)OC1=O

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.84
CYP2C9 P11712 8/20 0.84
CYP3A4 P08684 5/20 0.80
CYP2C19 P33261 6/20 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
SCHEMBL117859 0.91 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117858 0.91 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117451 0.91 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117452 0.91 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117641 0.89 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117639 0.89 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
Nitrous Acid SCHEMBL15949377 0.89 HSD11B1 (0.83) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117640 0.89 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL116334 0.86 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL116333 0.86 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed