SCHEMBL22574701

SCHEMBL22574701

CCOc1ncccc1-c1nc(CCN)ncc1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 18/20 0.48
▸ PDE1B Q01064 18/20 0.48
▸ PDE1C Q14123 18/20 0.48
▸ ALOX5AP P20292 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38

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
SCHEMBL22574646 0.80 PDE1A (0.51) PDE1APDE1BPDE1CALOX5AP
SCHEMBL30672753 0.79 PDE1A (0.53) PDE1APDE1BPDE1CALOX5AP
SCHEMBL22574700 0.79 PDE1A (0.53) PDE1APDE1BPDE1CALOX5AP
SCHEMBL22574730 0.78 PDE1A (0.45) PDE1APDE1BPDE1C
SCHEMBL30672629 0.77 PDE1A (0.48) PDE1APDE1BPDE1CALOX5AP
SCHEMBL22574654 0.77 PDE1A (0.48) PDE1APDE1BPDE1CALOX5AP
SCHEMBL31078141 0.69 PDE1B (0.51) PDE1APDE1BPDE1CALOX5AP
SCHEMBL22574729 0.69 PDE1A (0.46) PDE1APDE1BPDE1C
SCHEMBL30672661 0.69 PDE1A (0.46) PDE1APDE1BPDE1C
SCHEMBL29982576 0.67 PDE1A (0.45) PDE1APDE1BPDE1C

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-3728250-A1 PYRAZOLO[3,4-beta]PYRIDINES AND IMIDAZO[1,5-beta]PYRIDAZINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2020-10-28 — — EP disclosed
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