SCHEMBL31365053

SCHEMBL31365053

NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCO[C@H](C(=O)O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 4/20 0.42
▸ OPRD1 P41143 6/20 0.41
▸ OPRM1 P35372 5/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ F10 P00742 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ CTSB P07858 2/20 0.40
▸ CHRNA1 P02708 1/20 0.40
▸ CHRNG P07510 1/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRND Q07001 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ MMP2 P08253 1/20 0.39

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
SCHEMBL25495062 1.00 QRFPR (0.42) QRFPROPRD1OPRM1OPRK1F10
SCHEMBL21915930 0.93 QRFPR (0.45) QRFPROPRD1OPRM1OPRK1F10
SCHEMBL25654696 0.85 OPRD1 (0.45) QRFPROPRD1OPRM1OPRK1CTSB
SCHEMBL26502625 0.85 PRSS1 (0.43) QRFPROPRD1OPRM1OPRK1F10
SCHEMBL26502247 0.84 OPRD1 (0.48) QRFPROPRD1OPRM1OPRK1CTSB
SCHEMBL25499007 0.84 OPRD1 (0.48) QRFPROPRD1OPRM1OPRK1CTSB
SCHEMBL25975649 0.83 MME (0.39) MMP2
SCHEMBL30129649 0.83 OPRD1 (0.40) OPRD1
SCHEMBL25230181 0.83 OPRD1 (0.40) OPRD1
SCHEMBL25944308 0.83 OPRD1 (0.40) OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025021118-A9 LIGAND-DRUG CONJUGATE AND LINKER FOR CONJUGATION 海南先声再明医药股份有限公司 2025-04-03 — — WO disclosed
WO-2025021118-A1 LIGAND-DRUG CONJUGATE AND LINKER FOR CONJUGATION 海南先声再明医药股份有限公司 2025-01-30 — — WO disclosed
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