SCHEMBL11067941

SCHEMBL11067941

CN1C(=O)CCc2c(OCCCC(=O)N(CCO)C3CCCCC3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.43
PDE3A Q14432 17/20 0.43
HRH3 Q9Y5N1 1/20 0.37
S1PR5 Q9H228 1/20 0.36
P2RY12 Q9H244 5/20 0.36
PDE2A O00408 3/20 0.36

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
SCHEMBL11065562 0.85 PDE3B (0.45) PDE3BPDE3AS1PR5P2RY12
SCHEMBL11062867 0.85 HTR6 (0.44) PDE3BPDE3A
SCHEMBL11065742 0.80 PDE3B (0.55) PDE3BPDE3AP2RY12PDE2A
SCHEMBL11062167 0.80 PDE3B (0.57) PDE3BPDE3A
SCHEMBL11071217 0.80 PDE3B (0.48) PDE3BPDE3AP2RY12
SCHEMBL11067928 0.80 PDE3B (0.48) PDE3BPDE3AP2RY12
SCHEMBL11058328 0.74 PDE3B (0.49) PDE3BPDE3AP2RY12
SCHEMBL11068086 0.74 PDE3B (0.42) PDE3BPDE3A
SCHEMBL11069955 0.74 PDE3B (0.50) PDE3BPDE3A
SCHEMBL11067436 0.73 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2A

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed