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SCHEMBL30617075

SCHEMBL30617075

CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.59
▸ OPRM1 P35372 6/20 0.56
▸ OPRD1 P41143 6/20 0.56
▸ BACE1 P56817 2/20 0.54
▸ OPRK1 P41145 3/20 0.53

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
SCHEMBL8983297 0.90 CTSB (0.62) CTSBOPRM1OPRD1OPRK1
SCHEMBL8983313 0.90 CTSB (0.62) CTSBOPRM1OPRD1OPRK1
SCHEMBL31257018 0.87 OPRD1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL14164206 0.87 CTSD (0.57) CTSBOPRM1OPRD1
SCHEMBL29789592 0.86 CTSB (0.64) CTSBOPRM1OPRD1OPRK1
SCHEMBL30292595 0.86 CTSB (0.56) CTSBBACE1
SCHEMBL29568812 0.86 OPRK1 (0.55) CTSBOPRM1OPRD1OPRK1
SCHEMBL32659730 0.86 OPRM1 (0.56) CTSBOPRM1OPRD1OPRK1
SCHEMBL30193614 0.86 OPRD1 (0.56) CTSBOPRM1OPRD1OPRK1
SCHEMBL30434531 0.85 OPRK1 (0.56) CTSBOPRM1OPRD1OPRK1

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-116789769-B Preparation method of F3 polypeptide 中奥生物医药技术(广东)有限公司 2024-02-23 — — CN disclosed
CN-116789769-A Preparation method of F3 polypeptide 中奥生物医药技术(广东)有限公司 2023-09-22 — — CN disclosed
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