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SCHEMBL29426546

SCHEMBL29426546

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.62
▸ IL23R Q5VWK5 13/20 0.61

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
SCHEMBL29418231 1.00 TFPI (0.62) TFPIIL23R
SCHEMBL30577892 0.98 IL23R (0.62) TFPIIL23R
SCHEMBL29372983 0.97 TFPI (0.64) TFPIIL23R
SCHEMBL22807671 0.97 TFPI (0.64) TFPIIL23R
SCHEMBL30413638 0.96 IL23R (0.61) TFPIIL23R
SCHEMBL31504570 0.94 TFPI (0.67) TFPIIL23R
SCHEMBL30973957 0.94 TFPI (0.64) TFPIIL23R
SCHEMBL31031575 0.94 TFPI (0.64) TFPIIL23R
SCHEMBL30414074 0.94 TFPI (0.60) TFPIIL23R
SCHEMBL30577891 0.94 IL23R (0.63) TFPIIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114209677-B Brain-targeting nano preparation containing rhynchophylline and preparation method thereof 中国药科大学 2023-03-24 — — CN claimed
CN-114209677-A Brain-targeting nano preparation containing rhynchophylline and preparation method thereof 中国药科大学 2022-03-22 — — CN claimed
CN-114209677-B Brain-targeting nano preparation containing rhynchophylline and preparation method thereof 中国药科大学 2023-03-24 — — CN disclosed
CN-114209677-A Brain-targeting nano preparation containing rhynchophylline and preparation method thereof 中国药科大学 2022-03-22 — — CN disclosed
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