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Sugi Predict / Compounds / SCHEMBL30567445

SCHEMBL30567445

SCHEMBL30567445

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.61
▸ VIPR1 P32241 4/20 0.59
▸ GLP1R P43220 5/20 0.59
▸ VIPR2 P41587 6/20 0.58
▸ ECE1 P42892 1/20 0.56
▸ MUS81 Q96NY9 1/20 0.56

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
SCHEMBL30567448 0.97 TFPI (0.59) TFPIVIPR1GLP1RVIPR2
SCHEMBL30900783 0.93 TFPI (0.58) TFPIVIPR1GLP1RVIPR2
SCHEMBL30432094 0.92 VIPR1 (0.61) TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL30387150 0.92 VIPR2 (0.62) TFPIVIPR1GLP1RVIPR2
SCHEMBL30633108 0.92 KISS1R (0.61) TFPIVIPR1GLP1RVIPR2
SCHEMBL29373287 0.92 TFPI (0.66) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30495775 0.92 VIPR1 (0.70) TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL29376362 0.91 TFPI (0.66) TFPIVIPR1GLP1RECE1MUS81
SCHEMBL31575683 0.91 VIPR1 (0.61) VIPR1GLP1RVIPR2
SCHEMBL30567786 0.91 TFPI (0.58) TFPIVIPR1GLP1RVIPR2

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-116789764-B Preparation method of anti-coronavirus polypeptide 北京悦康科创医药科技股份有限公司 2025-01-03 — — CN claimed
CN-116789764-A Preparation method of high-efficiency broad-spectrum anti-coronavirus polypeptide 北京悦康科创医药科技股份有限公司 2023-09-22 — — CN claimed
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