SCHEMBL9686736

SCHEMBL9686736

CC1CC(=O)NN=C1c1ccc(CC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.60
PDE3A Q14432 14/20 0.60
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
GFER P55789 1/20 0.57
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
TNNC1 P63316 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR119 Q8TDV5 1/20 0.50
GALR3 O60755 1/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL7323542 0.87 PDE3B (0.60) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9687144 0.85 PDE3B (0.54) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9686825 0.84 GPR119 (0.46) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL10353457 0.83 PDE3B (0.71) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL4414285 0.82 PDE3B (0.64) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL10369572 0.81 HRH3 (0.59) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL8342501 0.80 PDE3B (0.64) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL10016799 0.80 PDE3B (0.64) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL16156976 0.80 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157196 0.80 PDE3B (0.57) 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