SCHEMBL6630786

SCHEMBL6630786

O=C(CCCCNC(=O)C(CCSc1ccccc1)CCSc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.52
FAAH O00519 6/20 0.52
CES1 P23141 3/20 0.52
HDAC6 Q9UBN7 3/20 0.39
CTSS P25774 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL6062273 0.82 FAAH (0.44) DAGLAFAAHCES1CTSS
SCHEMBL6634123 0.82 DAGLA (0.53) DAGLAFAAHCES1CTSS
SCHEMBL6062124 0.80 DAGLA (0.57) DAGLAFAAHCES1
SCHEMBL27805184 0.80 DAGLA (0.67) DAGLAFAAHCES1HDAC6HDAC3
SCHEMBL6062122 0.79 FAAH (0.50) DAGLAFAAHCES1HDAC6HDAC3
SCHEMBL6062834 0.78 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL6628866 0.78 DAGLA (0.61) DAGLAFAAHCES1
SCHEMBL6635584 0.77 CTSS (0.51) DAGLAFAAHCES1HDAC6CTSS
SCHEMBL5423196 0.77 CTSS (0.49) FAAHCES1CTSS
SCHEMBL6631756 0.76 DAGLA (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed