SCHEMBL24642383

SCHEMBL24642383

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ OPRD1 P41143 5/20 0.39
▸ OPRM1 P35372 4/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ EGLN1 Q9GZT9 6/20 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
SCHEMBL24642506 0.90 OPRD1 (0.38) CTSLCTSBCTSSOPRD1OPRM1
SCHEMBL25045552 0.89 CTSL (0.39) CTSLCTSBCTSSOPRD1OPRM1
SCHEMBL26513732 0.81 ACACB (0.37) CTSLCTSBCTSSOPRD1OPRM1
SCHEMBL30863660 0.81 PTPN1 (0.37) CTSLCTSBCTSSOPRD1OPRM1
SCHEMBL24642914 0.80 ITGB1 (0.42) CTSB
SCHEMBL26108180 0.80 ITGB1 (0.42) CTSB
SCHEMBL25046497 0.80 OPRD1 (0.36) CTSLCTSBCTSSOPRD1OPRM1
SCHEMBL25046482 0.79 OPRD1 (0.40) OPRD1OPRM1OPRK1
SCHEMBL25148528 0.76 CTSL (0.49) CTSLCTSBCTSSOPRD1OPRM1
SCHEMBL21437346 0.75 OPRD1 (0.51) CTSLCTSBCTSSOPRD1OPRM1

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-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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