SCHEMBL9687674

SCHEMBL9687674

CC1CC(=O)NN=C1c1ccc([O])cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.64
PDE3A Q14432 18/20 0.64
PDE4A P27815 3/20 0.61
PDE4B Q07343 3/20 0.61
PDE4C Q08493 3/20 0.61
PDE4D Q08499 3/20 0.61
TNNC1 P63316 1/20 0.56
GALR3 O60755 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
PBRM1 Q86U86 1/20 0.54

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
SCHEMBL10353457 0.93 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL22317993 0.87 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10016799 0.87 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11633346 0.87 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8342501 0.87 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11397791 0.85 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157007 0.85 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6856944 0.85 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157017 0.85 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11268997 0.85 PDE3B (0.62) 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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed