SCHEMBL30877952

SCHEMBL30877952

C#C[C@H](CC1CCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.56
CCKBR P32239 2/20 0.53
REN P00797 2/20 0.51
CTSS P25774 3/20 0.46
CTSK P43235 1/20 0.46
CYP51A1 Q16850 1/20 0.46
CTSL P07711 2/20 0.45
FAAH O00519 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
CTSB P07858 1/20 0.45

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 0.91 F2R (0.55) F2RCCKBRRENCTSSCTSK
SCHEMBL30877949 0.91 F2R (0.55) F2RCCKBRRENCTSSCTSK
SCHEMBL27278860 0.90 F2R (0.58) F2RCCKBRRENCYP51A1
SCHEMBL30877957 0.90 F2R (0.58) F2RCCKBRRENCYP51A1
SCHEMBL27278651 0.89 F2R (0.56) F2RCCKBRRENCTSSCTSK
SCHEMBL30877972 0.89 F2R (0.57) F2RCCKBRRENCTSSCTSK
SCHEMBL30877966 0.89 F2R (0.56) F2RCCKBRRENCTSSCTSK
SCHEMBL27278550 0.89 F2R (0.57) F2RCCKBRRENCTSSCTSK
SCHEMBL30877968 0.89
SCHEMBL27278477 0.89

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