SCHEMBL30153107

SCHEMBL30153107

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.63
▸ OPRM1 P35372 5/20 0.63
▸ OPRK1 P41145 2/20 0.63
▸ LTA4H P09960 1/20 0.55
▸ CTSB P07858 1/20 0.54

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
SCHEMBL30582479 0.92 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL30778304 0.90 LTA4H (0.62) LTA4H
SCHEMBL28786055 0.90 LTA4H (0.62) LTA4H
SCHEMBL30053179 0.90 OPRD1 (0.68) OPRD1OPRM1OPRK1LTA4H
SCHEMBL29992506 0.89 OPRD1 (0.65) OPRD1OPRM1OPRK1LTA4HCTSB
SCHEMBL30368328 0.89 LTA4H (0.61) LTA4H
SCHEMBL31461882 0.89 OPRD1 (0.65) OPRD1OPRM1OPRK1LTA4H
SCHEMBL29626871 0.88 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL29789608 0.88 OPRD1 (0.64) OPRD1OPRM1OPRK1LTA4HCTSB
SCHEMBL29455241 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1

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
CN-112940077-B Polypeptide hydrogel loaded with small interfering RNA (ribonucleic acid), and preparation method and application thereof 中山大学孙逸仙纪念医院 2023-01-03 — — CN disclosed
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