SCHEMBL30123552

SCHEMBL30123552

Fc1cc(OCc2cnc3ccccc3n2)ccc1-c1nn(CC(F)(F)F)cc1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.65
PDE4A P27815 7/20 0.51
PDE4B Q07343 7/20 0.51
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
LGALS3 P17931 1/20 0.44
PDE4D Q08499 1/20 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
SCHEMBL3272337 1.00 PDE10A (0.65) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3269511 0.90 PDE10A (0.80) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30123215 0.90 PDE10A (0.80) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30123240 0.89 PDE10A (0.81) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3274824 0.89 PDE10A (0.81) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3269569 0.85 PDE10A (0.56) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3270782 0.79 PDE10A (1.00) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL29368113 0.79 PDE10A (1.00) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4161920 0.78 PDE10A (0.80) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4146861 0.78 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
EP-4103161-A1 COMPOSITIONS AND USES THEREOF BenevolentAI Cambridge Limited (GB) 2022-12-21 EP disclosed
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed