SCHEMBL3924944

SCHEMBL3924944

C[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)n1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.45
CNR2 P34972 3/20 0.44
SCN9A Q15858 4/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
PTGS2 P35354 2/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
HPGDS O60760 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
SCHEMBL4013474 0.92 CNR1 (0.54) CNR1CNR2SCN10AHPGDS
SCHEMBL4013626 0.91 CNR1 (0.56) CNR1CNR2SCN9ACKS1BSKP1
SCHEMBL3919739 0.86 CNR2 (0.44) CNR1CNR2SCN9ASCN10ACKS1B
SCHEMBL3914314 0.86 CNR2 (0.44) CNR1CNR2SCN9ASCN10ACKS1B
SCHEMBL3924497 0.86 CNR2 (0.44) CNR1CNR2SCN9ASCN10A
SCHEMBL3813909 0.85 CNR1 (0.40) CNR1CNR2SCN9APTGS2CKS1B
SCHEMBL1379050 0.82 CNR1 (0.66) CNR1CNR2SCN10APTGS2HPGDS
SCHEMBL4013599 0.81 CNR1 (0.57) CNR1CNR2
SCHEMBL4018515 0.80 CNR1 (0.54) CNR1CNR2SCN10AHPGDS
SCHEMBL3914894 0.80 CNR1 (0.42) CNR1CNR2SCN9ASCN10ACKS1B

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