SCHEMBL30877949

SCHEMBL30877949

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.55
DRD2 P14416 1/20 0.53
CCKBR P32239 4/20 0.50
REN P00797 2/20 0.50
CTSS P25774 3/20 0.46
CTSK P43235 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL27278566 1.00 F2R (0.55) F2RDRD2CCKBRRENCTSS
SCHEMBL30877966 0.95 F2R (0.56) F2RDRD2CCKBRRENCTSS
SCHEMBL27278651 0.95 F2R (0.56) F2RDRD2CCKBRRENCTSS
SCHEMBL30877952 0.91 F2R (0.56) F2RCCKBRRENCTSSCTSK
SCHEMBL27278660 0.91 F2R (0.53) F2RDRD2CCKBRRENCTSS
SCHEMBL27278760 0.91 F2R (0.53) F2RDRD2CCKBRRENCTSS
SCHEMBL27278777 0.90 F2R (0.52) F2RDRD2CCKBRRENCTSS
SCHEMBL30877951 0.90 F2R (0.52) F2RDRD2CCKBRRENCTSS
SCHEMBL30877972 0.90 F2R (0.57) F2RCCKBRRENCTSSCTSK
SCHEMBL27278550 0.90 F2R (0.57) F2RCCKBRRENCTSSCTSK

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