SCHEMBL11066100

SCHEMBL11066100

O=C1CCc2c(cccc2OCCCCC(=O)N(CC(O)CO)C2CCCCC2)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE3B Q13370 9/20 0.42
PDE3A Q14432 9/20 0.42
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
PYGL P06737 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL11068008 0.97 PDE3B (0.45) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11071217 0.85 PDE3B (0.48) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11067928 0.85 PDE3B (0.48) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11066038 0.84 PDE3B (0.47) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11071107 0.83 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11313442 0.83 PDE3B (0.43) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11058328 0.83 PDE3B (0.49) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11312325 0.83 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11316229 0.81 PDE3B (0.51) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11062523 0.81 PDE3B (0.49) ADRB1ADRB2HTR1AOPRK1PDE3B

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