SCHEMBL29512229

SCHEMBL29512229

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 10/20 0.44
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 3/20 0.42
▸ NMUR2 Q9GZQ4 3/20 0.41
▸ NMUR1 Q9HB89 3/20 0.41
▸ CAPN1 P07384 2/20 0.38

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
SCHEMBL29894817 0.86 CAPN1 (0.46) OPRM1OPRD1NMUR2NMUR1CAPN1
SCHEMBL30185030 0.83 BDKRB2 (0.46) BDKRB2OPRM1OPRD1CAPN1
SCHEMBL30349254 0.83 RAMP3 (0.52) NMUR2NMUR1
SCHEMBL29512235 0.83 OPRD1 (0.54) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30930147 0.82 OPRM1 (0.43) BDKRB2OPRM1OPRD1
SCHEMBL30185031 0.82 BDKRB2 (0.46) BDKRB2OPRM1OPRD1
SCHEMBL29800494 0.82 OPRM1 (0.44) OPRM1OPRD1NMUR2NMUR1
SCHEMBL30680485 0.82 BDKRB2 (0.46) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30899148 0.81 NMUR2 (0.50) OPRM1OPRD1NMUR2NMUR1
SCHEMBL30721557 0.81 ACE (0.42) BDKRB2OPRM1OPRD1

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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