SCHEMBL6465056

SCHEMBL6465056

O=[C]NCCCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 17/20 0.64
FAAH O00519 13/20 0.64
CES1 P23141 6/20 0.64

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
SCHEMBL27805184 0.82 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL3962620 0.80 FAAH (0.85) DAGLAFAAHCES1
SCHEMBL4051507 0.77 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL5672032 0.77 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL6062417 0.77 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL24934423 0.75 FAAH (0.55) DAGLAFAAHCES1
SCHEMBL24934422 0.75 DAGLA (0.64) DAGLAFAAHCES1
SCHEMBL4720030 0.75 ELANE (0.47)
SCHEMBL3964233 0.74 FAAH (1.00) DAGLAFAAHCES1
SCHEMBL14110503 0.74 DAGLA (0.62) DAGLAFAAHCES1

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed