SCHEMBL24950823

SCHEMBL24950823

Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(C(=O)OC(C)(C)C)c4ccccc4n3)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.69
PDE4A P27815 12/20 0.69
PDE4B Q07343 12/20 0.69
PDE3B Q13370 11/20 0.68
PDE3A Q14432 9/20 0.68
LGALS3 P17931 1/20 0.62
PDE4D Q08499 1/20 0.62

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
SCHEMBL31106976 1.00 PDE10A (0.69) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24951523 0.90 PDE10A (0.76) PDE10APDE4APDE4BPDE3BPDE3A
Hydrochloric Acid SCHEMBL30202096 0.89 PDE10A (0.75) PDE10APDE4APDE4BPDE3BPDE3A
Ammonia Solution, Strong SCHEMBL29280452 0.89 PDE10A (0.75) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL31133554 0.86 PDE10A (0.56) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24954196 0.85 PDE10A (0.68) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL29280464 0.83 PDE10A (0.66) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3269654 0.83 PDE10A (0.81) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30123172 0.83 PDE10A (0.81) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24951319 0.82 PDE10A (0.80) PDE10APDE4APDE4BPDE3BPDE3A

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-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed