SCHEMBL6875796

SCHEMBL6875796

N#CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 1.00
CTSS P25774 11/20 1.00
CTSB P07858 7/20 1.00
CTSK P43235 5/20 1.00
CHRNB2 P17787 2/20 0.62
CHRNB4 P30926 2/20 0.62
CHRNA3 P32297 2/20 0.62
CHRNA4 P43681 2/20 0.62
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRM1 Q13255 1/20 0.57
USP30 Q70CQ3 1/20 0.56

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
SCHEMBL5525339 1.00 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5530445 1.00 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL6867271 1.00 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5518266 0.92 CTSL (0.85) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5520437 0.92 CTSL (0.85) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5522179 0.91 CTSL (0.83) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5521614 0.91 CTSL (0.83) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5520689 0.90 CTSL (0.82) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5534375 0.90 CTSL (0.82) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5522964 0.90 CTSL (0.81) CTSLCTSSCTSBCTSKCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed