SCHEMBL10072800

SCHEMBL10072800

Bc1ccc(CC2CCN(C3CCC(F)CC3)C2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
P2RX7 Q99572 2/20 0.33
ROCK2 O75116 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
SCHEMBL474663 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL474662 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL474703 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL10072596 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL13955304 0.83 HSD11B1 (0.37) HSD11B1ROCK2
SCHEMBL13955036 0.80 HSD11B1 (0.38) HSD11B1P2RX7ROCK2
SCHEMBL2990514 0.77 P2RX7 (0.44) HSD11B1P2RX7
SCHEMBL2995839 0.77 P2RX7 (0.44) HSD11B1P2RX7
SCHEMBL3879672 0.77 CYP2A13 (0.46) HSD11B1P2RX7
SCHEMBL2996038 0.77 P2RX7 (0.44) HSD11B1P2RX7

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 disclosed