SCHEMBL5500218

SCHEMBL5500218

COc1cc(Cl)c(CC2CC(N3CCCC3=O)CCC2O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
F10 P00742 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PARP1 P09874 1/20 0.33
BACE1 P56817 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32

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
SCHEMBL5507807 0.84 HRH3 (0.39) CYP2D6RAB9A
SCHEMBL5504560 0.84 BTK (0.38) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL5503441 0.83 TACR1 (0.36) F10
SCHEMBL5499710 0.83 HCRTR1 (0.37) KMT2APDCD1LG2CD274PARP1
SCHEMBL3945116 0.82 SIGMAR1 (0.36) MMP13F10PDCD1LG2CD274PARP1
SCHEMBL5503363 0.82 MMP13 (0.36) MMP13F10KDM4EMEN1CYP1A2
SCHEMBL5501184 0.81 NPY5R (0.35) MMP13F10
SCHEMBL5502793 0.80 GRM2 (0.39) HTR2CHTR2B
SCHEMBL5502942 0.79 LMNA (0.38) MEN1KMT2APDCD1LG2CD274HTR2A
SCHEMBL5509855 0.78 CYP11B2 (0.39) KDM4ECYP1A2

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