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Sugi Predict / Compounds / SCHEMBL29677337

SCHEMBL29677337

SCHEMBL29677337

CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.55
▸ PTH1R Q03431 4/20 0.54
▸ VIPR2 P41587 6/20 0.53
▸ VIPR1 P32241 4/20 0.52
▸ TFPI P10646 1/20 0.52

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
SCHEMBL29677427 0.96 RXFP1 (0.53) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL29677393 0.95 RXFP1 (0.58) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL29677265 0.95 VIPR2 (0.57) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL30433565 0.93 VIPR2 (0.53) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL29677438 0.93 RXFP1 (0.54) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL29677217 0.92 VIPR2 (0.57) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL29677485 0.92 RXFP1 (0.53) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL30262186 0.90 VIPR2 (0.54) RXFP1PTH1RVIPR2VIPR1
SCHEMBL29822714 0.90 RXFP1 (0.57) RXFP1PTH1RVIPR2VIPR1TFPI
SCHEMBL30712890 0.89 VIPR2 (0.58) RXFP1PTH1RVIPR2VIPR1

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-112661830-B Bioactive peptide with amino acid structure AIRNDEELNKLLGR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN claimed
CN-112661830-B Bioactive peptide with amino acid structure AIRNDEELNKLLGR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN disclosed