SCHEMBL3821028

SCHEMBL3821028

C[C@](O)(CNC(=O)Oc1cnc(OCc2cnccn2)c(-c2ccc(F)cc2)n1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.38
CNR1 P21554 1/20 0.37
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
GABRA5 P31644 9/20 0.32
SLC34A1 Q06495 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GRIA1 P42261 1/20 0.31
CYP2C9 P11712 1/20 0.31
EPHX2 P34913 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADORA2A P29274 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
SCHEMBL3816557 0.91 GABRA1 (0.38) NAMPTCNR1CKS1BSKP1SKP2
SCHEMBL3821995 0.85 CNR1 (0.51) CNR1CKS1BSKP1SKP2GABRA5
SCHEMBL3822661 0.80 CNR1 (0.47) CNR1GABRA5
SCHEMBL3813909 0.79 CNR1 (0.40) CNR1CKS1BSKP1SKP2
SCHEMBL3812006 0.78 CNR1 (0.49) CNR1GABRA5EPHX2
SCHEMBL3822011 0.77 CNR1 (0.40) CNR1CKS1BSKP1SKP2KDM4E
SCHEMBL3820971 0.76 CNR1 (0.51) CNR1GABRA5
SCHEMBL3819129 0.76 CNR1 (0.49) CNR1
SCHEMBL3818600 0.73 CNR1 (0.49) CNR1CYP2C9KDM4E
SCHEMBL4013599 0.71 CNR1 (0.57) CNR1

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