SCHEMBL30877951

SCHEMBL30877951

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.52
REN P00797 2/20 0.48
CCKBR P32239 2/20 0.47
CTSS P25774 4/20 0.44
CTSK P43235 2/20 0.44
DRD2 P14416 1/20 0.43
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 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
SCHEMBL27278777 1.00 F2R (0.52) F2RRENCCKBRCTSSCTSK
SCHEMBL30877949 0.90 F2R (0.55) F2RRENCCKBRCTSSCTSK
SCHEMBL27278566 0.90 F2R (0.55) F2RRENCCKBRCTSSCTSK
SCHEMBL30877966 0.88 F2R (0.56) F2RRENCCKBRCTSSCTSK
SCHEMBL27278651 0.88 F2R (0.56) F2RRENCCKBRCTSSCTSK
SCHEMBL30877952 0.88 F2R (0.56) F2RRENCCKBRCTSSCTSK
SCHEMBL27278760 0.88 F2R (0.53) F2RRENCCKBRCTSSCTSK
SCHEMBL27278660 0.88 F2R (0.53) F2RRENCCKBRCTSSCTSK
SCHEMBL30877972 0.87 F2R (0.57) F2RRENCCKBRCTSSCTSK
SCHEMBL27278550 0.87 F2R (0.57) F2RRENCCKBRCTSSCTSK

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