Sugi Predict

Sugi Predict / Compounds / SCHEMBL30312692

SCHEMBL30312692

SCHEMBL30312692

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 2/20 0.52
▸ IL23R Q5VWK5 8/20 0.51
▸ TFPI P10646 1/20 0.50
▸ OPRL1 P41146 2/20 0.49

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
SCHEMBL30312704 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312729 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312720 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312694 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312683 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312724 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312707 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312706 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL30312660 1.00 QRFPR (0.52) QRFPRIL23RTFPIOPRL1
SCHEMBL29939684 0.95 TFPI (0.57) QRFPRIL23RTFPIOPRL1

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-110172082-B Short peptide of targeted nicotinic acetylcholine receptor and application thereof 安徽工业大学 2023-04-14 — — CN disclosed
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