SCHEMBL25290638

SCHEMBL25290638

O=C(O)NNC(=O)[C@H](CC1CCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.61
▸ CTSB P07858 4/20 0.61
▸ CTSS P25774 4/20 0.61
▸ CTSL P07711 3/20 0.61
▸ TACR1 P25103 1/20 0.55
▸ CASP1 P29466 2/20 0.52

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
SCHEMBL25290639 1.00 CTSK (0.61) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25289368 0.99 CTSK (0.63) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25289369 0.99 CTSK (0.63) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25288955 0.95 CTSK (0.57) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25288954 0.95 CTSK (0.57) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25282429 0.89 CTSK (0.65) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25282430 0.89 CTSK (0.65) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25289261 0.88 CTSK (0.61) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25242994 0.88 CTSK (0.61) CTSKCTSBCTSSCTSLTACR1
SCHEMBL4800376 0.88 CTSK (0.67) CTSKCTSBCTSSCTSLCASP1

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-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
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