SCHEMBL6822958

SCHEMBL6822958

CCOC(=O)c1ccnc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.52
FPR2 P25090 6/20 0.52
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44

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
SCHEMBL6822861 0.89 SCN9A (0.55) SCN9AFPR2
SCHEMBL3138733 0.85 SCN9A (0.55) SCN9AFPR2
SCHEMBL3138980 0.84 SCN9A (0.64) SCN9AFPR2
SCHEMBL3129012 0.84 SCN9A (0.55) SCN9AFPR2
SCHEMBL3138877 0.81 SCN9A (0.50) SCN9AFPR2MAPT
SCHEMBL3129152 0.81 SCN9A (0.48) SCN9AFPR2MAPT
SCHEMBL27586185 0.80 SCN9A (0.50) SCN9AFPR2
SCHEMBL3138353 0.79 SCN9A (0.49) SCN9AFPR2MAPT
SCHEMBL3138347 0.79 SCN9A (0.49) SCN9AFPR2MAPT
SCHEMBL3139930 0.77 SCN9A (0.52) SCN9AFPR2

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
WO-2004111011-A2 SYNTHESIS OF 2-ARYL PYRIMIDINE 4-CARBOXYLIC ACID AMIDES EURO-CELTIQUE S.A. (LU) 2004-12-23 WO claimed
WO-2004111011-A2 SYNTHESIS OF 2-ARYL PYRIMIDINE 4-CARBOXYLIC ACID AMIDES EURO-CELTIQUE S.A. (LU) 2004-12-23 WO disclosed