SCHEMBL19225518

SCHEMBL19225518

CO[n+]1cc(Br)c(OCC2CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
CNR2 P34972 2/20 0.34
RIPK1 Q13546 1/20 0.33
PDE4B Q07343 9/20 0.33
PDE4A P27815 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE4C Q08493 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15776314 0.81 BRD4 (0.37) SCN9ACNR2RIPK1PDE4BPDE4A
SCHEMBL19225529 0.72 RIPK1 (0.37) SCN9ARIPK1PDE4BPDE4APDE4D
SCHEMBL981699 0.71 TDP1 (0.46) RIPK1PDE4BPDE4APDE4DPDE4C
SCHEMBL983839 0.69 TDP1 (0.47) RIPK1PDE4BPDE4APDE4DPDE4C
SCHEMBL9896972 0.68 SCN9A (0.36) SCN9ACNR2RIPK1
SCHEMBL983640 0.67 CYP1A2 (0.51) TDP1
SCHEMBL16653248 0.67 CNR2 (0.46) SCN9ACNR2RIPK1PDE4BPDE4A
SCHEMBL983574 0.67 EGFR (0.39) PDE4BPDE4D
SCHEMBL15871 0.67 HTR2A (0.40) CNR2PDE4BPDE4D
SCHEMBL23915570 0.66 CNR2 (0.39) SCN9ACNR2RIPK1

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
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed