SCHEMBL11326531

SCHEMBL11326531

CC1CC(=O)N(C)c2ccc(C3=NNC(=O)CC3CO)cc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.53
▸ PDE3A Q14432 15/20 0.53
▸ PDE4A P27815 2/20 0.47
▸ PDE4B Q07343 2/20 0.47
▸ PDE4C Q08493 2/20 0.47
▸ PDE4D Q08499 2/20 0.47
▸ GALR3 O60755 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL11322663 0.87 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11326023 0.86 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11328012 0.82 PDE3B (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11328059 0.79 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10647369 0.77 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11315242 0.75 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11323274 0.74 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10956557 0.72 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10840969 0.72 PDE3B (0.57) PDE3BPDE3AGPR119SMN1; SMN2
Domipizone SCHEMBL1814940 0.71 PDE4B (0.69) PDE3BPDE3APDE4APDE4BPDE4C

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
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 — — US disclosed
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