SCHEMBL3821995

SCHEMBL3821995

C[C@](O)(CNC(=O)Oc1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.51
CNR2 P34972 7/20 0.39
LRRK2 Q5S007 3/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
EP300 Q09472 1/20 0.36
GABRA5 P31644 3/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL3819129 0.90 CNR1 (0.49) CNR1CNR2LRRK2EP300KDM1A
SCHEMBL3821028 0.85 NAMPT (0.38) CNR1CKS1BSKP1SKP2GABRA5
SCHEMBL4013599 0.85 CNR1 (0.57) CNR1CNR2
SCHEMBL3816557 0.85 GABRA1 (0.38) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL3813909 0.82 CNR1 (0.40) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL3812006 0.81 CNR1 (0.49) CNR1CNR2GABRA5
SCHEMBL3822011 0.80 CNR1 (0.40) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL3820971 0.80 CNR1 (0.51) CNR1CNR2GABRA5
SCHEMBL3817679 0.79 CNR1 (0.49) CNR1CNR2
SCHEMBL3818600 0.79 CNR1 (0.49) CNR1CNR2

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