SCHEMBL11065401

SCHEMBL11065401

CC1CC(=O)Nc2ccc(OCCCC(=O)N(CCO)C3CCCC(O)C3)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.48
PDE3A Q14432 19/20 0.48
PDE2A O00408 1/20 0.40
P2RY12 Q9H244 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL11061924 0.91 PDE3B (0.56) PDE3BPDE3APDE2AP2RY12
SCHEMBL11071572 0.84 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11064605 0.84 PDE3B (0.58) PDE3BPDE3APDE2AP2RY12
SCHEMBL11063314 0.82 PDE3B (0.55) PDE3BPDE3APDE2AP2RY12
SCHEMBL11067728 0.81 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11064753 0.80 PDE3B (0.50) PDE3BPDE3APDE2AP2RY12
SCHEMBL11062198 0.79 PDE3B (0.49) PDE3BPDE3APDE2AP2RY12
SCHEMBL11061424 0.79 PDE3B (0.52) PDE3BPDE3APDE2AP2RY12
SCHEMBL11071205 0.78 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11067917 0.77 PDE3B (0.65) 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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed