SCHEMBL4024429

SCHEMBL4024429

COc1cc(Cl)c(Cc2[nH]nc3c2CC(N2CCCC2=O)CC3)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.35
KDM5A P29375 1/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LTA4H P09960 1/20 0.30
KCNH2 Q12809 1/20 0.30
MMP13 P45452 1/20 0.30
F10 P00742 1/20 0.30
PARP1 P09874 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
SCHEMBL4028478 0.90 KDM5A (0.35) OPRL1KDM5AF10
SCHEMBL4025390 0.88 OPRM1 (0.37) OPRL1KDM5APDCD1LG2CD274HTR2C
SCHEMBL4025157 0.88 KDM5A (0.34) OPRL1KDM5AF10
SCHEMBL4031855 0.88 KDM5A (0.34) OPRL1KDM5AF10
SCHEMBL4023855 0.88 KDM5A (0.34) OPRL1KDM5AF10
SCHEMBL4024182 0.86 LTA4H (0.34) OPRL1LTA4HKCNH2
SCHEMBL4022622 0.85 LTA4H (0.34) LTA4HKCNH2
SCHEMBL4024126 0.85 LTA4H (0.34) LTA4HKCNH2
SCHEMBL4030735 0.83 NPY5R (0.35) OPRL1KDM5AHTR2AHTR2CKCNH2
SCHEMBL4024067 0.83 NPY5R (0.35) OPRL1KDM5AHTR2AHTR2CKCNH2

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-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP 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