SCHEMBL15436374

SCHEMBL15436374

CCn1ccc(-c2ccc([C@H](C)N(CC[C@H](CC(C)(C)O)c3ccccc3)C(=O)O)cc2)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 11/20 0.46
HSD11B1 P28845 10/20 0.46
CYP2C9 P11712 11/20 0.39
CYP3A4 P08684 5/20 0.39
USP19 O94966 1/20 0.36
PTGS2 P35354 1/20 0.34
SOS1 Q07889 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL13624909 0.89 HSD11B1 (0.44) CYP2C19HSD11B1CYP2C9CYP3A4
SCHEMBL17120312 0.89 HSD11B1 (0.44) CYP2C19HSD11B1CYP2C9CYP3A4
SCHEMBL15241517 0.84 HSD11B1 (0.47) CYP2C19HSD11B1CYP2C9CYP3A4
SCHEMBL15241450 0.83 HSD11B1 (0.45) CYP2C19HSD11B1CYP2C9CYP3A4TRPM8
SCHEMBL15436348 0.81 HSD11B1 (0.43) CYP2C19HSD11B1CYP2C9CYP3A4
SCHEMBL15241496 0.81 HSD11B1 (0.45) CYP2C19HSD11B1CYP2C9CYP3A4PTGS2
SCHEMBL14865120 0.80 HSD11B1 (0.43) CYP2C19HSD11B1CYP2C9CYP3A4PTGS2
SCHEMBL17120364 0.80 HSD11B1 (0.46) CYP2C19HSD11B1CYP2C9CYP3A4TRPM8
SCHEMBL17120441 0.80 HSD11B1 (0.46) CYP2C19HSD11B1CYP2C9CYP3A4
SCHEMBL15241456 0.79 HSD11B1 (0.47) CYP2C19HSD11B1CYP2C9CYP3A4

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-2687525-A1 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed