SCHEMBL16404235

SCHEMBL16404235

COc1cccc(-n2c(C)nc(C(=O)NCC3CCC4C(C)(C)C45CC35)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
CNR2 P34972 5/20 0.47
HTR2A P28223 11/20 0.43
HTR2C P28335 11/20 0.43
SLC6A4 P31645 10/20 0.43
GRM5 P41594 2/20 0.41
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
THRB P10828 1/20 0.37

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
SCHEMBL16404245 0.89 CNR2 (0.60) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404424 0.84 CNR2 (0.55) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404194 0.76 CNR2 (0.52) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404191 0.75 CNR2 (0.59) CNR1CNR2
SCHEMBL16404217 0.72 CNR2 (0.75) CNR1CNR2GRM5
SCHEMBL16404434 0.72 CNR2 (0.70) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4958802 0.68 ALDH1A1 (0.57) GRM5PDE4DTHRB
SCHEMBL16404254 0.63 CNR1 (0.56) CNR1CNR2
SCHEMBL12720363 0.60 CNR2 (0.56) CNR1CNR2
SCHEMBL1078126 0.60 HTR2A (1.00) HTR2AHTR2CSLC6A4

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