SCHEMBL3722073

SCHEMBL3722073

CC(C)(CO)C(=O)N1CCC(CCOc2ccc(C(=O)NCC3C4CC5CC3CC(O)(C5)C4)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
DGAT1 O75907 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL943004 0.89 HSD11B1 (0.44) EPHX2
SCHEMBL945291 0.85 EPHX2 (0.39) TEAD1TEAD3DGAT1EPHX2GPR119
SCHEMBL946689 0.84 GPR119 (0.45) TEAD1TEAD3GPR119
SCHEMBL14097613 0.83 GPR119 (0.36) ITGB3ITGA2BTEAD1TEAD3GPR119
SCHEMBL14097819 0.78 GPR119 (0.41) TEAD1TEAD3GPR119
SCHEMBL238435 0.77 GPR119 (0.44) DGAT1EPHX2GPR119
SCHEMBL942710 0.76 GPR119 (0.47) TEAD1TEAD3GPR119
SCHEMBL943776 0.76 TEAD1 (0.50) ITGB3ITGA2BPKMTEAD1TEAD3
SCHEMBL946688 0.75 MAPT (0.43) EPHX2
SCHEMBL946687 0.74 IDH1 (0.45) EPHX2GPR119

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-2146952-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-01-27 EP claimed
WO-2008101885-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO claimed