SCHEMBL25046490

SCHEMBL25046490

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.49
▸ OPRM1 P35372 8/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ CTSS P25774 3/20 0.48
▸ CTSL P07711 3/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CTSK P43235 2/20 0.47
▸ REN P00797 1/20 0.43

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
SCHEMBL25774591 0.88 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25148131 0.88 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL24774075 0.88 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL24760230 0.84 CTSS (0.55) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL24774070 0.84 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL24760306 0.84 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25839541 0.83 PSMB5 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL18513842 0.81 CTSS (0.54) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25148144 0.80 FAAH (0.56) OPRD1OPRM1CTSB
SCHEMBL22695725 0.80 CTSS (0.54) CTSSCTSLCTSBCTSK

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-2023016488-A1 MICROTUBULE INHIBITOR-BASED ANTIBODY-DRUG CONJUGATE 昆山新蕴达生物科技有限公司 2023-02-16 — — WO disclosed
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