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SCHEMBL29512235

SCHEMBL29512235

C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.54
▸ OPRM1 P35372 5/20 0.54
▸ F2 P00734 1/20 0.49
▸ NMUR2 Q9GZQ4 3/20 0.49
▸ NMUR1 Q9HB89 3/20 0.49
▸ BDKRB2 P30411 1/20 0.48
▸ CALCRL Q16602 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
SCHEMBL30918791 0.89 OPRD1 (0.55) OPRD1OPRM1F2NMUR2NMUR1
SCHEMBL29512206 0.87 CALCRL (0.49) OPRD1OPRM1CALCRL
SCHEMBL30933101 0.87 REN (0.54) OPRD1OPRM1F2NMUR2NMUR1
SCHEMBL28062744 0.86 OPRD1 (0.58) OPRD1F2
SCHEMBL31119607 0.86 IL23R (0.54) F2NMUR2NMUR1
SCHEMBL31603932 0.85 NMUR2 (0.61) OPRM1NMUR2NMUR1
SCHEMBL31472819 0.84 NMUR2 (0.50) OPRD1OPRM1F2NMUR2NMUR1
SCHEMBL31119609 0.84 APLNR (0.55) OPRM1F2NMUR2NMUR1
SCHEMBL31067243 0.84 OPRD1 (0.54) OPRD1OPRM1F2
SCHEMBL30933090 0.83 NMUR2 (0.53) OPRD1OPRM1F2NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220275025-A1 BONE REMODELING REGULATORY PEPTIDES AND APPLICATION THEREOF THE SECOND XIANGYA HOSPITAL OF CENTRAL SOUTH UNIVERSITY (CN) 2022-09-01 — — US claimed
EP-3978509-A1 BONE REMODELING REGULATORY POLYPEPTIDES AND USE The Second Xiangya Hospital of Central South University (CN) 2022-04-06 — — EP claimed
US-20220275025-A1 BONE REMODELING REGULATORY PEPTIDES AND APPLICATION THEREOF THE SECOND XIANGYA HOSPITAL OF CENTRAL SOUTH UNIVERSITY (CN) 2022-09-01 — — US disclosed
US-20220275025-A1 BONE REMODELING REGULATORY PEPTIDES AND APPLICATION THEREOF THE SECOND XIANGYA HOSPITAL OF CENTRAL SOUTH UNIVERSITY (CN) 2022-09-01 — — US disclosed
EP-3978509-A1 BONE REMODELING REGULATORY POLYPEPTIDES AND USE The Second Xiangya Hospital of Central South University (CN) 2022-04-06 — — EP disclosed
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