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Sugi Predict / Compounds / SCHEMBL31135293

SCHEMBL31135293

SCHEMBL31135293

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=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)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.41
▸ OXTR P30559 2/20 0.41
▸ AVPR1A P37288 2/20 0.41
▸ AVPR1B P47901 2/20 0.41
▸ NTMT1 Q9BV86 2/20 0.39
▸ APLNR P35414 4/20 0.38
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ VHL P40337 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ REN P00797 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ ACE P12821 1/20 0.35
▸ BDKRB2 P30411 1/20 0.35
▸ BDKRB1 P46663 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
SCHEMBL31135214 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL31135211 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL29816428 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL30697820 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL31135245 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL31135193 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL31135192 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL29816639 1.00 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL31158137 0.96 NTMT1 (0.39) AVPR2OXTRAVPR1AAVPR1BNTMT1
SCHEMBL31158131 0.96 NTMT1 (0.39) AVPR2OXTRAVPR1AAVPR1BNTMT1

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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