SCHEMBL4545845

SCHEMBL4545845

COc1cc2nc(C)nc(N3CCC(Oc4cnc5ccccc5n4)C3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.78
PDE3B Q13370 14/20 0.78
PDE3A Q14432 14/20 0.78

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
SCHEMBL4545440 0.90 PDE10A (0.77) PDE10APDE3BPDE3A
SCHEMBL4545884 0.90 PDE10A (0.77) PDE10APDE3BPDE3A
SCHEMBL30123166 0.88 PDE10A (1.00) PDE10APDE3BPDE3A
SCHEMBL2451079 0.88 PDE10A (1.00) PDE10APDE3BPDE3A
SCHEMBL2725365 0.88 PDE10A (1.00) PDE10APDE3BPDE3A
SCHEMBL4404999 0.88 PDE10A (1.00) PDE10APDE3BPDE3A
SCHEMBL2729925 0.87 PDE10A (0.73) PDE10APDE3BPDE3A
SCHEMBL10063737 0.87 PDE10A (0.73) PDE10APDE3BPDE3A
SCHEMBL2731771 0.87 PDE10A (0.73) PDE10APDE3BPDE3A
SCHEMBL2731328 0.87 PDE10A (0.73) 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