SCHEMBL4452405

SCHEMBL4452405

OCC(O)CNc1ccnc(-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.56
CLK4 Q9HAZ1 9/20 0.51
DYRK1A Q13627 5/20 0.51
FAAH O00519 2/20 0.41
KMO O15229 1/20 0.39
TRPV3 Q8NET8 1/20 0.39

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
SCHEMBL4452404 1.00 CYP1A2 (0.56) CYP1A2CLK4DYRK1AFAAHKMO
SCHEMBL390595 0.81 CYP1A2 (0.84) CYP1A2FAAHTRPV3
SCHEMBL390596 0.81 CYP1A2 (0.84) CYP1A2FAAHTRPV3
SCHEMBL2666270 0.69 KMO (0.47) CLK4DYRK1AKMO
SCHEMBL28781845 0.69 EPHB4 (0.48) CLK4DYRK1AKMO
SCHEMBL2299616 0.68 KMO (0.44) CYP1A2CLK4DYRK1AKMOTRPV3
SCHEMBL3409393 0.68 FAAH (0.49) FAAH
SCHEMBL390869 0.67 CYP1A2 (0.71) CYP1A2
SCHEMBL390885 0.67 CYP1A2 (1.00) CYP1A2
SCHEMBL390886 0.67 CYP1A2 (1.00) CYP1A2

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-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed