SCHEMBL4545801

SCHEMBL4545801

COc1cc2c(N3CCC(Oc4cnc5ccccc5n4)C3)ncnc2cc1OCCCF

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.84
PDE3B Q13370 15/20 0.84
PDE3A Q14432 15/20 0.84

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
SCHEMBL4546152 1.00 PDE10A (0.84) PDE10APDE3BPDE3A
SCHEMBL10063735 0.96 PDE10A (0.85) PDE10APDE3BPDE3A
SCHEMBL2725147 0.96 PDE10A (0.85) PDE10APDE3BPDE3A
SCHEMBL4545737 0.96 PDE10A (0.85) PDE10APDE3BPDE3A
SCHEMBL2732657 0.96 PDE10A (0.85) PDE10APDE3BPDE3A
SCHEMBL2732504 0.93 PDE10A (0.90) PDE10APDE3BPDE3A
SCHEMBL4546146 0.93 PDE10A (0.90) PDE10APDE3BPDE3A
SCHEMBL10064028 0.93 PDE10A (0.90) PDE10APDE3BPDE3A
SCHEMBL10063509 0.92 PDE10A (0.87) PDE10APDE3BPDE3A
SCHEMBL2725365 0.92 PDE10A (1.00) PDE10APDE3BPDE3A

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
WO-2012052556-A1 NOVEL HALOALKOXYQUINAZOLINES, AND PREPARATION AND USE THEREOF UNIVERSITÄT LEIPZIG (DE) 2012-04-26 WO disclosed