SCHEMBL4082512

SCHEMBL4082512

CC1(C)C(C2C3CC4CC2CC(O)(C4)C3)NC(=O)N1Cc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AMPD2 Q01433 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MAPK8 P45983 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4081932 0.83 AMPD2 (0.43) AMPD2
SCHEMBL4078946 0.79 HSD11B1 (0.42) HSD11B1LMNATP53HTTNPSR1
SCHEMBL4088853 0.77 HSD11B1 (0.36) HSD11B1
SCHEMBL75312 0.77 HSD11B1 (0.48) HSD11B1AMPD2KMT2ATDP1
SCHEMBL4082555 0.74 HSD11B1 (0.34) HSD11B1
SCHEMBL4089217 0.74 HSD11B1 (0.33) HSD11B1
SCHEMBL4084575 0.71 HSD11B1 (0.41) HSD11B1
SCHEMBL4083372 0.68 HSD11B1 (0.34) HSD11B1
SCHEMBL4078782 0.67 HSD11B1 (0.34) HSD11B1
SCHEMBL4082590 0.67 HSD11B1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed