SCHEMBL11007461

SCHEMBL11007461

NC(=O)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.55
CAPN1 P07384 2/20 0.52
TACR1 P25103 2/20 0.52
CTSB P07858 4/20 0.52
CTSS P25774 4/20 0.52
CTSK P43235 1/20 0.51

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
SCHEMBL10633347 0.91 CTSL (0.53) CTSLTACR1CTSBCTSSCTSK
SCHEMBL10443977 0.91 CTSL (0.57) CTSLTACR1CTSBCTSSCTSK
SCHEMBL1661198 0.89 CTSL (0.57) CTSLTACR1CTSBCTSSCTSK
SCHEMBL27343926 0.89 CTSL (0.54) CTSLCAPN1TACR1CTSBCTSS
SCHEMBL9551368 0.89 CTSL (0.54) CTSLCAPN1TACR1CTSBCTSS
SCHEMBL27343932 0.89 CTSL (0.54) CTSLCAPN1TACR1CTSBCTSS
SCHEMBL9551274 0.89 CTSL (0.54) CTSLCAPN1TACR1CTSBCTSS
SCHEMBL9666956 0.89 CTSL (0.54) CTSLCAPN1TACR1CTSBCTSS
SCHEMBL10982059 0.87 CTSL (0.50) CTSLTACR1CTSBCTSSCTSK
SCHEMBL7264470 0.86 TACR1 (0.51) CTSLTACR1CTSBCTSSCTSK

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-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed