SCHEMBL474638

SCHEMBL474638

COC(=O)Oc1ccc(-c2cc(Cl)c(C[C@@H]3CCN(C4CCC(F)(F)CC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.33
P2RX7 Q99572 3/20 0.33
HSD11B1 P28845 1/20 0.33
MCHR1 Q99705 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
CNR2 P34972 1/20 0.32
XIAP P98170 1/20 0.32
ACACB O00763 3/20 0.32
PARP1 P09874 1/20 0.32
CHRM3 P20309 1/20 0.31
NPY5R Q15761 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL474794 0.90 HSD11B1 (0.36) ROCK2HSD11B1FFAR4KCNJ6KCNJ5
SCHEMBL474903 0.88 CMA1 (0.35) HSD11B1CHRM3
SCHEMBL13897773 0.85 HSD11B1 (0.35) ROCK2HSD11B1MCHR1KCNJ6KCNJ5
SCHEMBL474719 0.85 HSD11B1 (0.39) ROCK2HSD11B1MCHR1KCNJ6KCNJ5
SCHEMBL474674 0.85 HSD11B1 (0.39) ROCK2P2RX7HSD11B1MCHR1PARP1
SCHEMBL474718 0.85 HSD11B1 (0.39) ROCK2HSD11B1MCHR1KCNJ6KCNJ5
SCHEMBL474673 0.85 HSD11B1 (0.39) ROCK2P2RX7HSD11B1MCHR1PARP1
SCHEMBL474792 0.84 HSD11B1 (0.38) ROCK2P2RX7HSD11B1PARP1
SCHEMBL474851 0.83 AKR1C2 (0.38) ROCK2HSD11B1MCHR1FFAR4
SCHEMBL474642 0.83 AKR1C2 (0.38) ROCK2HSD11B1MCHR1FFAR4

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-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP claimed