SCHEMBL8301097

SCHEMBL8301097

O=CN1CCCC1C(=O)OCCCCON(O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DAGLA Q9Y4D2 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
SCHEMBL8302530 0.97 CNR1 (0.35) FKBP1ACNR1CNR2DAGLA
SCHEMBL8298926 0.88 CNR1 (0.33) FKBP1ACNR1CNR2DAGLA
SCHEMBL14903042 0.83 FKBP1A (0.38) FKBP1ACNR1CNR2DAGLA
SCHEMBL6375500 0.82 CNR1 (0.49) FKBP1ACNR1CNR2DAGLA
SCHEMBL10383405 0.79 CNR1 (0.43) FKBP1ACNR1CNR2DAGLA
SCHEMBL13416484 0.78 FKBP1A (0.44) FKBP1A
SCHEMBL13416492 0.78 FKBP1A (0.44) FKBP1A
SCHEMBL13416489 0.78 FKBP1A (0.44) FKBP1A
SCHEMBL7293865 0.75 FKBP1A (0.60) FKBP1A
SCHEMBL6379714 0.75 FKBP1A (0.46) FKBP1ACNR1CNR2DAGLA

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
WO-2004110432-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2004-12-23 WO disclosed