SCHEMBL4594130

SCHEMBL4594130

CN(C)N1CCCC/C=C(\Oc2cc(-c3ccccc3)nc3cc(OC(N)=O)ccc23)C2CC2([C]=O)NC(=O)C2CCCC2C1=O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39

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
SCHEMBL3277876 0.80 CTSB (0.55) CTSB
SCHEMBL3277879 0.68 CTSB (0.69) CTSB
SCHEMBL13385474 0.67 CTSB (0.71) CTSB
SCHEMBL8244871 0.67 CTSB (0.71) CTSB
SCHEMBL8248465 0.64 CTSB (0.67) CTSB
SCHEMBL6369435 0.64 CTSB (0.44) CTSB
SCHEMBL13385475 0.64 CTSB (0.88) CTSB
SCHEMBL8284369 0.61 CTSB (0.72) CTSB
SCHEMBL19093889 0.59 CTSB (0.81) CTSB
SCHEMBL12017053 0.59 CTSB (0.81) CTSB

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-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 — — EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 — — WO disclosed
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