SCHEMBL11068086

SCHEMBL11068086

O=C1CCc2c(cccc2OCCCC(=O)N(CCO)C2CC2)N1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.42
PDE3A Q14432 9/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
OPRK1 P41145 1/20 0.42
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL11067928 0.95 PDE3B (0.48) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11071217 0.95 PDE3B (0.48) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11071596 0.90 PDE3B (0.41) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11058328 0.90 PDE3B (0.49) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11062523 0.86 PDE3B (0.49) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11061068 0.84 ADRB2 (0.42) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11065568 0.83 ADRB2 (0.42) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11066038 0.83 PDE3B (0.47) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11068008 0.82 PDE3B (0.45) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11061846 0.82 PDE3B (0.43) PDE3BPDE3AADRB2ADRB1HTR1A

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