SCHEMBL18380921

SCHEMBL18380921

C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)ON)(c2cccc(F)c2)OC1=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.81
CYP2C9 P11712 10/20 0.66
CYP3A4 P08684 6/20 0.66
CYP2C19 P33261 6/20 0.63

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
SCHEMBL114401 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL114400 0.90 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL13077091 0.81 HSD11B1 (0.84) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117451 0.81 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117452 0.81 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL15241449 0.81 HSD11B1 (0.86) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117858 0.80 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117859 0.80 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL119117 0.80 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL119118 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed