SCHEMBL16404245

SCHEMBL16404245

Cc1nc(C(=O)NCC2CCC3C(C)(C)C34CC24)c(C)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.60
CNR1 P21554 8/20 0.60
HTR2A P28223 9/20 0.43
HTR2C P28335 9/20 0.43
SLC6A4 P31645 9/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR7 P34969 2/20 0.42
DRD3 P35462 2/20 0.42
HTR6 P50406 2/20 0.42
DRD4 P21917 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL16404235 0.89 CNR1 (0.47) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404191 0.84 CNR2 (0.59) CNR2CNR1
SCHEMBL16404434 0.82 CNR2 (0.70) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404215 0.81 CNR2 (0.41) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404194 0.80 CNR2 (0.52) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404255 0.76 CNR1 (0.70) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404424 0.72 CNR2 (0.55) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404239 0.69 CNR2 (0.60) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL16404211 0.69 CNR1 (0.68) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL3687439 0.69 CNR2 (1.00) CNR2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed