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Sugi Predict / Compounds / SCHEMBL6632064

SCHEMBL6632064

SCHEMBL6632064

CCCCC(C(=O)c1nc2ccccc2o1)(C(NC(C)C)C(N)=O)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.37
▸ CES1 P23141 2/20 0.37
▸ DAGLA Q9Y4D2 1/20 0.37
▸ XDH P47989 4/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CTSS P25774 4/20 0.34
▸ HSF1 Q00613 1/20 0.33

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
SCHEMBL6685881 0.81 PTPN1 (0.40) NPC1RAB9APTPN2PTPN1
SCHEMBL6689303 0.77 FAAH (0.36) FAAHCES1XDHNPC1RAB9A
SCHEMBL6062562 0.68 DAGLA (0.44) FAAHCES1DAGLAXDHCTSS
SCHEMBL7042166 0.68 DAGLA (0.44) FAAHCES1DAGLAXDHCTSS
SCHEMBL6465103 0.68 FAAH (0.41) FAAHCES1DAGLAXDHNPC1
SCHEMBL5671461 0.67 FAAH (0.43) FAAHCES1DAGLAXDHNPC1
SCHEMBL7415173 0.66 PRSS8 (0.41) FAAHCES1DAGLAXDHCTSS
SCHEMBL7045289 0.66 PRSS8 (0.45) FAAHCES1DAGLAXDHCTSS
SCHEMBL6691866 0.66 CTSS (0.44) CTSS
SCHEMBL6062948 0.66 CTSS (0.44) CTSS

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-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed