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Sugi Predict / Compounds / SCHEMBL4764355

SCHEMBL4764355

SCHEMBL4764355

CCNC(=O)CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](CCC[CH]NC(=O)OC(C)(C)C)C(=O)NCC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.45
▸ CTSK P43235 13/20 0.36
▸ CTSS P25774 4/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ FAAH O00519 1/20 0.32

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
SCHEMBL4764608 0.81 CAPN1 (0.47) CAPN1CTSKCA1CA2FAAH
SCHEMBL8698320 0.69 RECQL (0.42) CAPN1CTSKCA1CA2FAAH
SCHEMBL6611508 0.66 CTSK (0.41) CTSKCTSSCA1CA7
SCHEMBL10744068 0.65 CTSK (0.40) CTSKCTSSCA1CA7
SCHEMBL13170292 0.65 CAPN1 (0.57) CAPN1CTSKCTSS
SCHEMBL31090179 0.65 CAPN1 (0.57) CAPN1CTSKCTSS
SCHEMBL7733585 0.64 CTSK (0.50) CAPN1CTSKCTSSCA1CA2
SCHEMBL16929983 0.64 TDP1 (0.41) CTSKCTSSCA1CA7
SCHEMBL15824368 0.64 TDP1 (0.41) CTSKCTSSCA1CA7
SCHEMBL3882948 0.64 CAPN1 (0.63) CAPN1CA1CA2FAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 — — EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 — — EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 — — WO disclosed