SCHEMBL11066038

SCHEMBL11066038

COCCN(C(=O)CCCCOc1cccc2c1CCC(=O)N2)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.47
PDE3A Q14432 13/20 0.47
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE2A O00408 3/20 0.39
P2RY12 Q9H244 3/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL11062523 0.97 PDE3B (0.49) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11067928 0.88 PDE3B (0.48) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11071217 0.88 PDE3B (0.48) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11058328 0.86 PDE3B (0.49) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11312325 0.86 PDE3B (0.60) PDE3BPDE3APDE2AP2RY12PDE4A
SCHEMBL11313442 0.85 PDE3B (0.43) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11061846 0.84 PDE3B (0.43) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11066100 0.84 ADRB1 (0.43) PDE3BPDE3AADRB2ADRB1HTR1A
SCHEMBL11320635 0.83 PDE3B (0.64) PDE3BPDE3APDE2AP2RY12PDE4A
SCHEMBL11068086 0.83 PDE3B (0.42) 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