SCHEMBL3934266

SCHEMBL3934266

CC1(C)CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 1.00
ROCK2 O75116 2/20 0.43

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
SCHEMBL3932177 0.86 HSD11B1 (0.75) HSD11B1ROCK2
SCHEMBL1854173 0.86 HSD11B1 (0.76) HSD11B1ROCK2
SCHEMBL3938067 0.83 HSD11B1 (0.71) HSD11B1
SCHEMBL1855894 0.82 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL4171896 0.80 HSD11B1 (1.00) HSD11B1
SCHEMBL3929905 0.79 HSD11B1 (0.67) HSD11B1ROCK2
SCHEMBL3929966 0.79 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL1857917 0.78 HSD11B1 (1.00) HSD11B1
SCHEMBL3940195 0.76 HSD11B1 (0.78) HSD11B1ROCK2
SCHEMBL28780902 0.74 HSD11B1 (1.00) HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044057-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008000950-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed