SCHEMBL5506639

SCHEMBL5506639

CC1CCC(=O)N1C1CCCC(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
NR3C1 P04150 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALOX15 P16050 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL5506996 0.77 LMNA (0.43) ALDH1A1SMN1; SMN2ALOX15
SCHEMBL5504575 0.76 HSD11B1 (0.46) HSD11B1ALDH1A1SMN1; SMN2GRIN2BHRH3
SCHEMBL5502851 0.74 HSD11B1 (0.53) HSD11B1ALDH1A1SMN1; SMN2NR3C1ALOX15
SCHEMBL12222775 0.73 OPRM1 (0.44) GRIN2B
SCHEMBL21494673 0.71 GBA1 (0.47) CARM1PRMT6
SCHEMBL4681145 0.70 HTT (0.41) ALDH1A1SMN1; SMN2HTTCYP3A4CYP2C9
SCHEMBL5505692 0.70 HSD11B1 (0.40) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2991774 0.69 HTT (0.43) ALDH1A1SMN1; SMN2HTTCYP3A4GAA
SCHEMBL4681766 0.69 HTT (0.43) ALDH1A1SMN1; SMN2HTTCYP3A4GAA
SCHEMBL8701 0.68 GBA1 (0.65) GRIN2BCARM1PRMT6

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