SCHEMBL28964697

SCHEMBL28964697

O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCNC1=O)C(O)C(=O)NC1CC1)OCc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.56
CTSB P07858 3/20 0.56
CAPN1 P07384 1/20 0.52
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CTSF Q9UBX1 1/20 0.49

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
SCHEMBL30174739 1.00 CTSL (0.56) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL25539987 1.00 CTSL (0.56) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL28964694 1.00 CTSL (0.56) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL25547230 0.89 CTSL (0.46) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL30174598 0.89 CTSL (0.46) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL23149291 0.89 CTSL (0.67) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114870 0.89 CTSL (0.67) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114867 0.89 CTSL (0.67) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL30174717 0.88 CTSL (0.56) CTSLCTSBCAPN1
SCHEMBL28951999 0.88 CTSL (0.56) CTSLCTSBCAPN1

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
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN disclosed