SCHEMBL29658002

SCHEMBL29658002

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.56
▸ OPRM1 P35372 8/20 0.56
▸ OPRK1 P41145 2/20 0.52
▸ NPY5R Q15761 3/20 0.49
▸ NPY1R P25929 2/20 0.49
▸ NPY4R P50391 2/20 0.49
▸ CTSB P07858 1/20 0.48

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
SCHEMBL30804496 0.89 FOLH1 (0.60) OPRD1OPRM1OPRK1NPY1RNPY4R
SCHEMBL31257018 0.89 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL31332087 0.87 OPRD1 (0.68) OPRD1OPRM1OPRK1CTSB
SCHEMBL4257186 0.85 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL4257177 0.85 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL29350940 0.82 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL29904057 0.82 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL31614444 0.82 OPRD1 (0.56) OPRD1OPRM1OPRK1NPY5RNPY1R
SCHEMBL30440289 0.82 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL10520794 0.81 FOLH1 (0.67) OPRD1OPRM1NPY5RNPY1RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114480534-B Protein semisynthesis by chemoenzymatic methods based on transpeptidase 清华大学 2024-02-13 — — CN disclosed
CN-114480534-A Protein semi-synthesis based on chemical enzymatic methods of transpeptidase 清华大学 2022-05-13 — — CN disclosed
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