SCHEMBL4600660

SCHEMBL4600660

CN1CCCC/C=C/C2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(Oc3nc(-c4ccc(C#N)cc4)nc4ccccc34)CC2C1=O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.64
▸ CTSS P25774 1/20 0.53

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
SCHEMBL8248125 1.00 CTSB (0.64) CTSBCTSS
SCHEMBL13501937 0.94 CTSB (0.71) CTSBCTSS
SCHEMBL2835045 0.89 CTSB (0.49) CTSBCTSS
SCHEMBL8248104 0.88 CTSB (0.82) CTSBCTSS
SCHEMBL8242256 0.87 CTSB (0.67) CTSBCTSS
SCHEMBL13501951 0.86 CTSB (0.71) CTSBCTSS
SCHEMBL4599911 0.86 CTSB (0.68) CTSBCTSS
SCHEMBL8251811 0.86 CTSB (0.68) CTSBCTSS
SCHEMBL13501940 0.85 CTSB (0.65) CTSBCTSS
SCHEMBL8249098 0.85 CTSS (0.69) CTSBCTSS

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-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 — — EP disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 — — WO disclosed
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