SCHEMBL7408201

SCHEMBL7408201

NC(=O)/C=C(\CCCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.56
CTSL P07711 6/20 0.55
CTSB P07858 4/20 0.53
TACR2 P21452 4/20 0.50
CTSK P43235 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL7408205 1.00 CTSS (0.56) CTSSCTSLCTSBTACR2CTSK
SCHEMBL7356291 0.78 FKBP1A (0.41) CTSSCTSLCTSBCTSK
SCHEMBL7404835 0.77 CTSS (0.61) CTSSCTSLCTSBTACR2POLB
SCHEMBL7408631 0.77 CTSS (0.61) CTSSCTSLCTSBTACR2POLB
SCHEMBL7354024 0.77 CTSL (0.83) CTSSCTSLCTSBTACR2CTSK
SCHEMBL7354034 0.77 CTSL (0.83) CTSSCTSLCTSBTACR2CTSK
SCHEMBL7354020 0.77 CTSL (0.83) CTSSCTSLCTSBTACR2CTSK
SCHEMBL10778417 0.76 CTSS (0.62) CTSSCTSLCTSBTACR2POLB
SCHEMBL5193787 0.75 POLB (0.74) CTSSCTSLCTSBTACR2POLB
SCHEMBL7275964 0.75 POLB (0.74) CTSSCTSLCTSBTACR2POLB

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
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed