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Sugi Predict / Compounds / SCHEMBL30966645

SCHEMBL30966645

SCHEMBL30966645

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.55
▸ VIPR2 P41587 2/20 0.55
▸ OPRD1 P41143 2/20 0.54
▸ VIPR1 P32241 2/20 0.53
▸ TFPI P10646 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ CTSD P07339 1/20 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
SCHEMBL31672201 0.88 OPRM1 (0.56) BACE1OPRD1VIPR1OPRM1
SCHEMBL31098023 0.88 OPRD1 (0.60) BACE1OPRD1OPRM1
SCHEMBL29797326 0.88 BACE1 (0.59) BACE1OPRD1TFPIOPRM1CTSD
SCHEMBL30512568 0.87 BACE1 (0.64) BACE1VIPR2OPRD1VIPR1
SCHEMBL31038686 0.87 OPRD1 (0.58) BACE1OPRD1OPRM1
SCHEMBL29531101 0.86 TFPI (0.69) VIPR2VIPR1TFPI
SCHEMBL29815608 0.86 TFPI (0.61) VIPR2VIPR1TFPI
SCHEMBL30105973 0.86 OPRL1 (0.61) TFPI
SCHEMBL30495638 0.85 BACE1 (0.59) BACE1OPRD1VIPR1OPRM1
SCHEMBL30387150 0.85 VIPR2 (0.62) BACE1VIPR2OPRD1VIPR1TFPI

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-118272410-A Preparation method of spy catcher mutant and application of spy catcher mutant in fluorescent protein model system 江苏贝奥泰克生物科技有限公司 2024-07-02 — — CN disclosed
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