SCHEMBL3924497

SCHEMBL3924497

C[C@](O)(CNC(=O)c1cnc(OC[C@@H]2CCCO2)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.44
SCN9A Q15858 2/20 0.44
CNR1 P21554 7/20 0.43
TSHR P16473 1/20 0.43
PTK2 Q05397 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL4014812 0.90 CNR1 (0.54) CNR2CNR1TSHR
SCHEMBL4009905 0.90 CNR1 (0.54) CNR2CNR1TSHR
SCHEMBL4012883 0.90 CNR1 (0.54) CNR2CNR1TSHR
SCHEMBL4013626 0.88 CNR1 (0.56) CNR2SCN9ACNR1
SCHEMBL3924944 0.86 CNR1 (0.45) CNR2SCN9ACNR1SCN10A
SCHEMBL3818296 0.83 CNR2 (0.48) CNR2SCN9ACNR1TSHRSCN10A
SCHEMBL3818740 0.83 CNR2 (0.48) CNR2SCN9ACNR1TSHRSCN10A
SCHEMBL3818299 0.83 CNR2 (0.48) CNR2SCN9ACNR1TSHRSCN10A
SCHEMBL3914314 0.79 CNR2 (0.44) CNR2SCN9ACNR1SCN10A
SCHEMBL3919739 0.79 CNR2 (0.44) CNR2SCN9ACNR1SCN10A

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-2035394-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-18 EP disclosed
WO-2007147746-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed