SCHEMBL4028519

SCHEMBL4028519

CN1CCN(C(=O)c2ccc(-c3ccc(Cc4[nH]nc5c4CC(N4CCCC4=O)CC5)c(Cl)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE7B Q9NP56 1/20 0.38
HPGD P15428 1/20 0.37
CHKA P35790 1/20 0.37
MET P08581 1/20 0.36
PARP1 P09874 2/20 0.36
NTRK1 P04629 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 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
SCHEMBL4029463 0.81 SPR (0.38) PARP1KDM5A
SCHEMBL4025809 0.79 L3MBTL1 (0.33) KMT2AKDM5A
SCHEMBL4025390 0.79 OPRM1 (0.37) KDM5A
SCHEMBL4029793 0.76 PKM (0.36) HPGDPARP1KMT2ACCNCCDK8
SCHEMBL4069500 0.76 HPGD (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL4029262 0.76 NPY5R (0.35) KDM5A
SCHEMBL4024067 0.76 NPY5R (0.35) KDM5A
SCHEMBL4030735 0.76 NPY5R (0.35) KDM5A
Hydrochloric Acid SCHEMBL5500156 0.75 HPGD (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL4026325 0.75 KDM5A (0.36) PARP1CCNCCDK8KDM5A

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