SCHEMBL13552220

SCHEMBL13552220

Cc1ccc([C@H](C)N2CC[C@](CC(C)(C)O)(c3ccccc3F)OC2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.75
CYP2C19 P33261 5/20 0.75
CYP2C9 P11712 11/20 0.69
CYP3A4 P08684 10/20 0.65

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
SCHEMBL118651 0.91 HSD11B1 (0.76) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL118652 0.91 HSD11B1 (0.76) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL118653 0.91 HSD11B1 (0.76) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL120593 0.87 HSD11B1 (0.68) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL120594 0.87 HSD11B1 (0.68) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL957557 0.86 HSD11B1 (0.83) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL957558 0.86 HSD11B1 (0.83) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL15959057 0.86 HSD11B1 (0.83) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL117676 0.86 HSD11B1 (1.00) HSD11B1CYP2C19CYP2C9CYP3A4
SCHEMBL117677 0.86 HSD11B1 (1.00) HSD11B1CYP2C19CYP2C9CYP3A4

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-2687525-A1 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed