SCHEMBL26502247

SCHEMBL26502247

C[C@@H](OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.48
▸ OPRM1 P35372 8/20 0.48
▸ OPRK1 P41145 3/20 0.48
▸ CTSB P07858 2/20 0.45
▸ REN P00797 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ QRFPR Q96P65 3/20 0.45
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42

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
SCHEMBL25499007 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1CTSBREN
SCHEMBL31090028 0.92 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL25654696 0.88 OPRD1 (0.45) OPRD1OPRM1OPRK1CTSBREN
SCHEMBL25494728 0.88 OPRD1 (0.45) OPRD1OPRM1OPRK1CTSBREN
SCHEMBL24406249 0.85 ACE (0.43) OPRD1OPRM1OPRK1CTSBREN
SCHEMBL26502253 0.84 OPRD1 (0.42) OPRD1OPRM1OPRK1CTSBREN
SCHEMBL26502186 0.84 OPRD1 (0.42) OPRD1OPRM1OPRK1CTSBREN
SCHEMBL25495062 0.84 QRFPR (0.42) OPRD1OPRM1OPRK1CTSBCTSL
SCHEMBL31365053 0.84 QRFPR (0.42) OPRD1OPRM1OPRK1CTSBCTSL
SCHEMBL27370284 0.83 OPRD1 (0.48) OPRD1OPRM1OPRK1CTSBREN

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-2023178641-A1 DNA TOXIC DIMER COMPOUND AND CONJUGATE THEREOF 成都百利多特生物药业有限责任公司 2023-09-28 — — WO disclosed
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