SCHEMBL9686039

SCHEMBL9686039

CC1CC(=O)NN=C1c1ccc2c(c1)N=C(O)[N]2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.57
PDE3A Q14432 18/20 0.57
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
GPR119 Q8TDV5 1/20 0.50
GALR3 O60755 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
TNNC1 P63316 1/20 0.49

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
SCHEMBL9687033 0.86 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9687226 0.84 GPR119 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7340003 0.84 GPR119 (0.53) PDE3BPDE3AGPR119
SCHEMBL10353457 0.81 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7327355 0.80 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7338020 0.80 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2840668 0.80 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2845140 0.78 GPR119 (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7304382 0.77 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9686961 0.77 PDE3B (0.60) 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