SCHEMBL3945116

SCHEMBL3945116

COc1cc(Cl)c(CC2CC(N3CCCC3=O)CCC2=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
MMP13 P45452 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PARP1 P09874 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL5503363 0.84 MMP13 (0.36) MMP13HTR2AHTR2CHTR2BPARP1
SCHEMBL5500218 0.82 MMP13 (0.38) MMP13HTR2AHTR2CHTR2BPARP1
SCHEMBL5499762 0.75 P2RX7 (0.42) F10
SCHEMBL474782 0.74 HSD11B1 (0.39) HTR2AHTR2CHTR2B
SCHEMBL208406 0.72 HSD11B1 (0.51) HTR2AHTR2CHTR2B
SCHEMBL5504601 0.71 HCN4 (0.37) HTR2AHTR2CHTR2BHCRTR1HCRTR2
SCHEMBL4024429 0.71 OPRL1 (0.35) MMP13HTR2AHTR2CHTR2BPARP1
SCHEMBL3950819 0.71 OPRM1 (0.38) MMP13HTR2CHTR2BHCRTR1HCRTR2
SCHEMBL13675619 0.70 HSD11B1 (0.36) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4067724 0.70 HRH3 (0.39)

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-2049475-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-04-22 EP disclosed
EP-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007127704-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed