SCHEMBL26154352

SCHEMBL26154352

O=CNCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCOP

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.45
▸ CTSB P07858 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ OPRD1 P41143 5/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CTSK P43235 1/20 0.41
▸ PSMB11 A5LHX3 1/20 0.41
▸ PSMA7 O14818 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMA1 P25786 1/20 0.41
▸ PSMA2 P25787 1/20 0.41
▸ PSMA3 P25788 1/20 0.41
▸ PSMA4 P25789 1/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMA5 P28066 1/20 0.41
▸ PSMB4 P28070 1/20 0.41
▸ PSMB6 P28072 1/20 0.41

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
SCHEMBL24183746 0.87 OPRD1 (0.45) RENCTSBCTSSCTSLOPRD1
SCHEMBL27354682 0.86 CTSB (0.48) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL25045555 0.85 CTSS (0.51) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL24999273 0.84 CTSS (0.43) RENCTSBCTSSCTSLOPRD1
SCHEMBL24183741 0.83 CHRNA1 (0.42) RENCTSBCTSSCTSLOPRD1
SCHEMBL21882002 0.83 OPRD1 (0.43) RENCTSBCTSSCTSLOPRD1
SCHEMBL23680114 0.83 REN (0.41) RENCTSBCTSSCTSLOPRD1
SCHEMBL26346709 0.82 PSMB5 (0.50) RENCTSBCTSSCTSLOPRD1
SCHEMBL24341294 0.81 OPRD1 (0.42) RENCTSBCTSSCTSLOPRD1
SCHEMBL25976646 0.81 OPRM1 (0.42) RENCTSBCTSSCTSLOPRD1

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-2023088235-A1 EXATECAN DERIVATIVES, LINKER-PAYLOADS, AND CONJUGATES AND THEREOF GENEQUANTUM HEALTHCARE (SUZHOU) CO., LTD. (CN) 2023-05-25 — — WO disclosed
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