SCHEMBL5511643

SCHEMBL5511643

CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)cc2)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.34
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5507890 0.89 SLC6A3 (0.31) CYP3A4SLC6A3
SCHEMBL2993665 0.79 PPARA (0.43) FBP1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4065131 0.76 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL5511640 0.71 HSD11B1 (0.45) FBP1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4241674 0.70
SCHEMBL3001081 0.68 ESR1 (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL2995580 0.68 CHRM1 (0.40) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL3001203 0.66 FFAR4 (0.43)
SCHEMBL2990531 0.65 LIPC (0.38) SLC6A3SLC6A2ALDH1A1
SCHEMBL4070181 0.65 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed