SCHEMBL11064841

SCHEMBL11064841

CN1C(=O)CCc2cc(OCCCC(=O)N(CCO)CC3CCCCO3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.42
PDE3A Q14432 13/20 0.42
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
PYGL P06737 1/20 0.37
P2RY12 Q9H244 2/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL11067409 0.82 PDE3B (0.60) PDE3BPDE3A
SCHEMBL11062167 0.81 PDE3B (0.57) PDE3BPDE3A
SCHEMBL11061349 0.80 PDE3B (0.58) PDE3BPDE3APYGL
SCHEMBL11063242 0.79 PDE3B (0.59) PDE3BPDE3APYGL
SCHEMBL11068681 0.78 PDE3B (0.59) PDE3BPDE3A
SCHEMBL11064471 0.77 KMT2A (0.41)
SCHEMBL11314216 0.77 PDE3B (0.66) PDE3BPDE3AP2RY12
SCHEMBL11060120 0.77 PDE3B (0.43) PDE3BPDE3AP2RY12HRH3
SCHEMBL11071221 0.76 PDE3B (0.56) PDE3BPDE3AP2RY12
SCHEMBL11064310 0.76 PDE3B (0.46) PDE3BPDE3AP2RY12

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