SCHEMBL24414053

SCHEMBL24414053

O=C(O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ CTRB1 P17538 1/20 0.47
▸ KMT2A Q03164 1/20 0.44
▸ CALCRL Q16602 1/20 0.43
▸ CMA1 P23946 1/20 0.42
▸ PSMB9 P28065 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
SCHEMBL30595564 0.91 CTRB1 (0.50) OPRM1OPRD1OPRK1CTRB1KMT2A
SCHEMBL24414077 0.87 OPRM1 (0.39) OPRM1OPRD1OPRK1CTRB1CALCRL
SCHEMBL30165246 0.85 CMA1 (0.50) OPRM1OPRD1OPRK1CALCRLCMA1
SCHEMBL6434028 0.84 CTRB1 (0.56) OPRM1OPRD1OPRK1CTRB1KMT2A
SCHEMBL29868206 0.84 CTRB1 (0.56) OPRM1OPRD1OPRK1CTRB1KMT2A
SCHEMBL30429187 0.84 CTRB1 (0.51) OPRM1OPRD1OPRK1CTRB1CMA1
SCHEMBL11947977 0.83 CTRB1 (0.55) OPRM1OPRD1OPRK1CTRB1CMA1
SCHEMBL24414109 0.78 KMT2A (0.48) CTRB1KMT2A
SCHEMBL22605955 0.78 FPR2 (0.39) —
SCHEMBL22605956 0.78 FPR2 (0.39) —

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-2022097540-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION 中外製薬株式会社 2022-05-12 — — WO disclosed
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