SCHEMBL25964401

SCHEMBL25964401

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.50
OPRM1 P35372 5/20 0.50
OPRK1 P41145 2/20 0.50
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
REN P00797 1/20 0.48
CTSK P43235 1/20 0.45
HPGD P15428 1/20 0.45
MMP1 P03956 1/20 0.45
FCER2 P06734 1/20 0.45
PSMB5 P28074 2/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL27376928 0.92 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL24760306 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL26559151 0.89 OPRM1 (0.51) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL24774070 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL24760656 0.88 OPRD1 (0.50) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL24760657 0.88 OPRD1 (0.50) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL27439357 0.88 OPRM1 (0.50) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL27433903 0.87 HPGD (0.50) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL27377032 0.87 PSMB5 (0.55) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL25748780 0.86 OPRM1 (0.48) OPRD1OPRM1OPRK1CTSBCTSS

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
EP-4223318-A1 ANTITUMOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2023-08-09 EP disclosed