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Sugi Predict / Compounds / SCHEMBL30312671

SCHEMBL30312671

SCHEMBL30312671

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.53
▸ IL23R Q5VWK5 6/20 0.52
▸ TFPI P10646 1/20 0.51
▸ QRFPR Q96P65 1/20 0.47

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
SCHEMBL30312672 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312685 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312727 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312652 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312750 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312705 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312668 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312678 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312725 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR
SCHEMBL30312655 1.00 OPRL1 (0.53) OPRL1IL23RTFPIQRFPR

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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