SCHEMBL15906362

SCHEMBL15906362

COC(=O)Cn1ncc(-c2ccncc2)c1-c1ccc(OCC2=NC3=CC=CC(C)C3C=C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.37
PDE4B Q07343 9/20 0.36
PDE4A P27815 8/20 0.36
PDE3B Q13370 7/20 0.36
PDE3A Q14432 7/20 0.36
SLC6A3 Q01959 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL1758625 0.78 PDE10A (0.52) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758627 0.74 PDE10A (0.49) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758462 0.74 SMN1; SMN2 (0.39) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758543 0.73 PDE10A (0.58) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL6872912 0.72 PDE10A (0.51) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL10413532 0.61 MAPK14 (0.59)
SCHEMBL1758612 0.61 SLC6A3 (0.72) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL1758598 0.59 PDE10A (0.53) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL3269566 0.59 PDE10A (0.58) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL188012 0.59 PDE10A (0.63) PDE10APDE4BPDE4APDE3BPDE3A

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-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed