SCHEMBL30877955

SCHEMBL30877955

C#C[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.56
CCKAR P32238 1/20 0.52
CCKBR P32239 1/20 0.52
CYP51A1 Q16850 1/20 0.52
PTGER4 P35408 1/20 0.51
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
F2R P25116 1/20 0.49
MMP3 P08254 1/20 0.49

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
SCHEMBL27278554 1.00 PYGL (0.56) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL30877973 0.89 PYGL (0.61) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278567 0.89 PYGL (0.61) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL30877969 0.87 PYGL (0.59) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278653 0.87 PYGL (0.59) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278662 0.86 PYGL (0.58) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL30877974 0.86 PYGL (0.58) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278780 0.85 PYGL (0.57) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL27278763 0.85 PYGL (0.57) PYGLCCKARCCKBRCYP51A1PTGER4
SCHEMBL30877972 0.83 F2R (0.57) CCKBRCYP51A1CTSLCTSSF2R

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