SCHEMBL25287929

SCHEMBL25287929

NC(=O)CCNNC(=O)C(CC1CCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.55
▸ CTSB P07858 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSL P07711 3/20 0.55
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ CASP1 P29466 1/20 0.46
▸ TACR1 P25103 1/20 0.46

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
SCHEMBL25243246 1.00 CTSK (0.55) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25242835 0.99 CTSK (0.56) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25289620 0.99 CTSK (0.56) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25286900 0.96 CTSK (0.49) CTSKCTSBCTSSCTSLTACR1
SCHEMBL25248762 0.96 CTSK (0.49) CTSKCTSBCTSSCTSLTACR1
SCHEMBL29362725 0.85 CTSL (0.49) CTSKCTSBCTSSCTSLMMP1
SCHEMBL25289261 0.83 CTSK (0.61) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25242994 0.83 CTSK (0.61) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25290638 0.83 CTSK (0.61) CTSKCTSBCTSSCTSLCASP1
SCHEMBL25290639 0.83 CTSK (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
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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