SCHEMBL25244832

SCHEMBL25244832

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NNC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.70
▸ TAS1R1 Q7RTX1 1/20 0.70
▸ CTSS P25774 4/20 0.66
▸ CTSL P07711 3/20 0.66
▸ GAA P10253 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CTSK P43235 2/20 0.60
▸ PYGL P06737 1/20 0.55
▸ DRD2 P14416 1/20 0.54
▸ HPGD P15428 1/20 0.51
▸ CCKAR P32238 1/20 0.51
▸ CCKBR P32239 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
SCHEMBL25287270 1.00 TAS1R3 (0.70) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL20853657 0.87 TAS1R3 (0.78) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25517392 0.87 TAS1R3 (0.78) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25197064 0.87 TAS1R3 (0.78) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25244468 0.86 TAS1R3 (0.73) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25286173 0.86 TAS1R3 (0.73) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25288959 0.85 TAS1R3 (0.66) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25288960 0.85 TAS1R3 (0.66) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL6663347 0.83 TAS1R3 (0.76) TAS1R3TAS1R1CTSSCTSLGAA
SCHEMBL25238203 0.83 TAS1R3 (0.62) TAS1R3TAS1R1CTSSCTSLGAA

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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