SCHEMBL25046497

SCHEMBL25046497

C=C[C@H](O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCC#Cc1cnc(S(C)(=O)=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.36
▸ OPRM1 P35372 9/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ CTSL P07711 3/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ REN P00797 1/20 0.34

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
SCHEMBL25046362 0.96 OPRM1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL25045552 0.91 CTSL (0.39) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL30863660 0.87 PTPN1 (0.37) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL25046482 0.85 OPRD1 (0.40) OPRD1OPRM1OPRK1
SCHEMBL25046489 0.84 CHRNB2 (0.35) OPRD1OPRM1OPRK1
SCHEMBL25046488 0.82 CCKAR (0.38) OPRD1OPRM1OPRK1
SCHEMBL24642383 0.80 CTSL (0.39) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL24642506 0.79 OPRD1 (0.38) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL31217951 0.79 IL2 (0.38) OPRD1OPRM1OPRK1CTSB
SCHEMBL26513732 0.76 ACACB (0.37) OPRD1OPRM1OPRK1CTSLCTSB

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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