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SCHEMBL31135243

SCHEMBL31135243

NCCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ AVPR2 P30518 2/20 0.38
▸ OXTR P30559 2/20 0.38
▸ AVPR1A P37288 2/20 0.38
▸ AVPR1B P47901 2/20 0.38
▸ APLNR P35414 4/20 0.37
▸ VHL P40337 1/20 0.37
▸ REN P00797 3/20 0.37
▸ NTMT1 Q9BV86 2/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ BDKRB2 P30411 2/20 0.36
▸ BDKRB1 P46663 2/20 0.36
▸ ACE P12821 1/20 0.35

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
SCHEMBL29816157 1.00 ITGB3 (0.39) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL31135245 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL30697820 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL29816639 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL31135293 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL31135193 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL31135192 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL31135211 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL31135214 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL29816428 0.96 AVPR2 (0.41) ITGB3ITGA2BAVPR2OXTRAVPR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119698289-A Pharmaceutical composition based on collagen peptide and application thereof 莎思坦控股有限责任公司 2025-03-25 — — CN disclosed
CN-118750585-A Collagen-based pharmaceutical compositions and devices and methods of manufacture and use thereof 莎思坦控股有限责任公司 2024-10-11 — — CN disclosed
CN-118717953-A Collagen-based pharmaceutical compositions and devices and methods of manufacture and use thereof 莎思坦控股有限责任公司 2024-10-01 — — CN disclosed
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