SCHEMBL22962275

SCHEMBL22962275

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](C=O)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.65
▸ CTSK P43235 9/20 0.65
▸ CTSB P07858 5/20 0.65
▸ CTSL P07711 1/20 0.65
▸ AKT1 P31749 1/20 0.57
▸ ACE P12821 1/20 0.57
▸ REN P00797 2/20 0.55
▸ ATM Q13315 1/20 0.55

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
SCHEMBL20204700 1.00 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL20204705 1.00 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL28269148 1.00 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL20204696 0.91 REN (0.62) CTSSCTSKCTSBCTSLREN
SCHEMBL20204708 0.91 REN (0.62) CTSSCTSKCTSBCTSLREN
SCHEMBL7094 0.90 ATM (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL390555 0.90 ATM (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL1094506 0.90 ATM (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL8526669 0.88 CTSS (0.57) CTSSCTSKCTSBCTSLAKT1
SCHEMBL23223551 0.87 CTSK (0.51) CTSSCTSKCTSBCTSLAKT1

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
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 — — WO disclosed
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