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Sugi Predict / Compounds / SCHEMBL31279447

SCHEMBL31279447

SCHEMBL31279447

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 9/20 0.52
▸ CXCR4 P61073 6/20 0.52
▸ UTS2R Q9UKP6 1/20 0.51
▸ KISS1R Q969F8 2/20 0.49
▸ PTH1R Q03431 1/20 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
SCHEMBL31278659 0.97 IL23R (0.52) IL23RCXCR4UTS2R
SCHEMBL29965711 0.92 CXCR4 (0.56) IL23RCXCR4
SCHEMBL29467916 0.89 CXCR4 (0.62) IL23RCXCR4PTH1R
SCHEMBL29641174 0.87 IL23R (0.62) IL23RCXCR4KISS1R
SCHEMBL31399734 0.86 IL23R (0.51) IL23RCXCR4KISS1R
SCHEMBL31399744 0.86 IL23R (0.51) IL23RCXCR4
SCHEMBL30080575 0.86 C5AR1 (0.51) KISS1R
SCHEMBL31258132 0.86 KISS1R (0.64) IL23RUTS2RKISS1R
SCHEMBL30104393 0.85 CTSL (0.47) UTS2R
SCHEMBL30080698 0.85 C5AR1 (0.55) IL23R

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-119350450-A Water-based synthesis method of mu-conotoxin KIIIA with instant wrinkle removal effect 润辉生物技术（威海）有限公司 2025-01-24 — — CN disclosed
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