SCHEMBL30123329

SCHEMBL30123329

Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ncc4ccccc4n3)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.76
LGALS3 P17931 1/20 0.73
PDE4D Q08499 1/20 0.73
PDE4A P27815 9/20 0.67
PDE4B Q07343 9/20 0.67
PDE3B Q13370 8/20 0.67
PDE3A Q14432 7/20 0.63

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
SCHEMBL3271233 1.00 PDE10A (0.76) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088239 0.89 PDE10A (0.74) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088248 0.89 PDE10A (0.74) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088229 0.87 PDE10A (0.84) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088245 0.86 PDE10A (1.00) PDE10A
SCHEMBL17088246 0.86 PDE10A (1.00) PDE10A
Mardepodect SCHEMBL29496270 0.84 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL30123358 0.84 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL3271928 0.84 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
Mardepodect SCHEMBL1414700 0.84 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B

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
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed