SCHEMBL5514587

SCHEMBL5514587

[c]1cn(CCC2CCOCC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
CNR1 P21554 7/20 0.46
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRD4 O60885 2/20 0.37
BAZ2A Q9UIF9 2/20 0.37
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.35
NAMPT P43490 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL5509595 0.85 CNR2 (0.44) CNR2CNR1BRD4BAZ2A
SCHEMBL17956189 0.83 SLC6A4 (0.44) LMNATSHRHTTNPSR1KDM1A
SCHEMBL5659685 0.78 POLB (0.44) CNR2CNR1LMNATSHRKDM1A
SCHEMBL17956232 0.74 POLB (0.48) CNR2LMNAKDM1AHPGD
SCHEMBL408279 0.73 GRM2 (0.33) CNR2CNR1NPSR1
SCHEMBL7391821 0.73 NPSR1 (0.40) CNR2CNR1LMNATSHRHTT
SCHEMBL17956197 0.72 ADRA2A (0.53) TSHRCHRM2CHRM1CHRM3
SCHEMBL17956247 0.71 CNR2 (0.38) CNR2CNR1HTTNAMPT
SCHEMBL17956216 0.70 CDK4 (0.37) CNR2CNR1
SCHEMBL6236614 0.70 SLC9A1 (0.37) CNR2CNR1LMNATSHRHTT

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-1833824-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-19 EP disclosed
WO-2006069196-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-06-29 WO disclosed