SCHEMBL30877972

SCHEMBL30877972

C#C[C@H](CCC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.57
CCKBR P32239 2/20 0.51
REN P00797 2/20 0.47
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CYP51A1 Q16850 1/20 0.42

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
SCHEMBL27278550 1.00 F2R (0.57) F2RCCKBRRENCTSSCTSL
SCHEMBL27278566 0.90 F2R (0.55) F2RCCKBRRENCTSSCTSL
SCHEMBL30877949 0.90 F2R (0.55) F2RCCKBRRENCTSSCTSL
SCHEMBL30877952 0.89 F2R (0.56) F2RCCKBRRENCTSSCTSL
SCHEMBL27278651 0.88 F2R (0.56) F2RCCKBRRENCTSSCTSL
SCHEMBL30877966 0.88 F2R (0.56) F2RCCKBRRENCTSSCTSL
SCHEMBL27278660 0.87 F2R (0.53) F2RCCKBRRENCTSSCTSL
SCHEMBL27278760 0.87 F2R (0.53) F2RCCKBRRENCTSSCTSL
SCHEMBL30877951 0.87 F2R (0.52) F2RCCKBRRENCTSSCTSL
SCHEMBL27278777 0.87 F2R (0.52) F2RCCKBRRENCTSSCTSL

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
WO-2024089159-A1 MAIN PROTEASE INHIBITORS UBIQ HOLDING B.V. (NL) 2024-05-02 WO disclosed