SCHEMBL3822011

SCHEMBL3822011

COCCOc1ncc(OC(=O)NCC(C)(O)C2CC2)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
SCN9A Q15858 4/20 0.34
TACR2 P21452 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CASR P41180 1/20 0.33
CNR2 P34972 2/20 0.33
AXL P30530 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL3813909 0.91 CNR1 (0.40) CNR1CKS1BSKP1SKP2TRPV1
SCHEMBL3821251 0.90 ABL1 (0.42) CNR1SCN10AAXLHPGDS
SCHEMBL3820971 0.90 CNR1 (0.51) CNR1TACR2CNR2
SCHEMBL3812006 0.83 CNR1 (0.49) CNR1SCN10ACNR2MAPTHPGDS
SCHEMBL3821995 0.80 CNR1 (0.51) CNR1CKS1BSKP1SKP2CNR2
SCHEMBL1377750 0.79 CNR1 (0.64) CNR1KDM4EHTTKMT2ATACR2
SCHEMBL2704555 0.79 CNR1 (0.64) CNR1KDM4EHTTKMT2ATACR2
SCHEMBL1377747 0.79 CNR1 (0.64) CNR1KDM4EHTTKMT2ATACR2
SCHEMBL3819129 0.79 CNR1 (0.49) CNR1CNR2HPGDS
SCHEMBL3924944 0.78 CNR1 (0.45) CNR1CKS1BSKP1SKP2SCN9A

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-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 EP claimed