SCHEMBL9687083

SCHEMBL9687083

CCC1CC(=O)NN=C1c1ccc2c(c1)N=C[N]2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
GPR119 Q8TDV5 19/20 0.51

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
SCHEMBL7304382 0.84 PDE3B (0.60) PDE3BPDE3A
SCHEMBL7304257 0.81 GPR119 (0.51) PDE3BPDE3AGPR119
SCHEMBL9687308 0.81 PDE2A (0.53) PDE2APDE3BPDE3AGPR119
SCHEMBL7302279 0.80 PDE2A (0.52) PDE2APDE3BPDE3AGPR119
SCHEMBL9686758 0.79 PDE2A (0.62) PDE2APDE3BPDE3AGPR119
SCHEMBL7340003 0.79 GPR119 (0.53) PDE2APDE3BPDE3AGPR119
SCHEMBL9686762 0.78 GPR119 (0.66) PDE2APDE3BPDE3AGPR119
SCHEMBL7296954 0.77 GPR119 (0.63) PDE2APDE3BPDE3AGPR119
SCHEMBL9781549 0.77 GPR119 (0.55) PDE2APDE3BPDE3AGPR119
SCHEMBL9686551 0.76 GPR119 (0.56) PDE2APDE3BPDE3AGPR119

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