SCHEMBL20924052

SCHEMBL20924052

COc1c(C)ccc2c(NC3(C)CCOC3C)ncnc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 7/20 0.48
▸ PDE1A P54750 6/20 0.48
▸ PDE1C Q14123 6/20 0.48
▸ PDE5A O76074 8/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE11A Q9HCR9 1/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PDE4B Q07343 1/20 0.32

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
SCHEMBL16822604 0.89 PDE1B (0.61) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16843084 0.86 PDE1B (0.46) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL17142266 0.82 PDE1B (0.48) PDE1BPDE1APDE1CPDE5APDE4B
SCHEMBL17142268 0.82 PDE1B (0.48) PDE1BPDE1APDE1CPDE5APDE4B
SCHEMBL17142281 0.77 EGFR (0.48) PDE1BPDE1APDE1C
SCHEMBL20924188 0.73 PDE1B (0.37) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL20913250 0.72 PDE1B (0.53) PDE1BPDE1APDE1CPDE4B
SCHEMBL16822550 0.68 PDE1B (0.51) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16822553 0.65 PDE1B (1.00) PDE1BPDE1APDE1CPDE5APDE2A
SCHEMBL16822569 0.62 PDE1B (0.53) PDE1BPDE1APDE1CPDE5APDE2A

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
EP-3083607-B1 QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-04-24 — — EP disclosed
Send feedback