SCHEMBL16333321

SCHEMBL16333321

O=C1[C@H](Cc2c(Cl)cc(-c3ccc(O)cc3)cc2Cl)CCN1[C@H]1CCc2n[nH]cc2C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.33
CYP26A1 O43174 3/20 0.32
CYP24A1 Q07973 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL12432326 1.00 ROCK2 (0.33) ROCK2CYP26A1CYP24A1HSD11B1
SCHEMBL12432264 0.93 ROCK2 (0.34) ROCK2HSD11B1
SCHEMBL16333628 0.93 ROCK2 (0.34) ROCK2HSD11B1
SCHEMBL12432306 0.93 ROCK2 (0.34) ROCK2HSD11B1
SCHEMBL4024064 0.92 ROCK2 (0.38) ROCK2HSD11B1
SCHEMBL2208729 0.92 ROCK2 (0.38) ROCK2HSD11B1
SCHEMBL2208721 0.92 ROCK2 (0.38) ROCK2HSD11B1
SCHEMBL12432345 0.92 ROCK2 (0.33) ROCK2HSD11B1
SCHEMBL2210272 0.92 ROCK2 (0.38) ROCK2HSD11B1
SCHEMBL2022283 0.92 ROCK2 (0.38) ROCK2HSD11B1

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-2029579-B1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2014-12-31 EP disclosed