SCHEMBL9688046

SCHEMBL9688046

Cc1cc(C2=NNC(=O)CC2C)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.63
PDE3A Q14432 14/20 0.63
PDE4A P27815 2/20 0.60
PDE4B Q07343 2/20 0.60
PDE4C Q08493 2/20 0.60
PDE4D Q08499 2/20 0.60
GALR3 O60755 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
GPR119 Q8TDV5 4/20 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
SCHEMBL16157195 0.87 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11097056 0.86 GALR3 (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2842077 0.85 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9686024 0.85 PDE3B (0.78) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL30100309 0.84 GALR3 (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9688044 0.84 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21225874 0.84 GALR3 (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL20607130 0.84 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2847998 0.83 PDE3B (0.79) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9686555 0.83 GPR119 (0.60) PDE3BPDE3AGPR119

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