SCHEMBL29512231

SCHEMBL29512231

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 2/20 0.48
▸ CALCRL Q16602 2/20 0.46
▸ RAMP1 O60894 1/20 0.46
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ PSMB9 P28065 1/20 0.45
▸ REN P00797 1/20 0.44
▸ OPRK1 P41145 1/20 0.44

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
SCHEMBL31670606 0.91 ACE (0.49) CALCRLRAMP1OPRD1OPRM1PSMB9
SCHEMBL29512206 0.91 CALCRL (0.49) CALCRLRAMP1OPRD1OPRM1OPRK1
SCHEMBL30149867 0.84 BDKRB2 (0.57) BDKRB2OPRD1OPRM1
SCHEMBL30634956 0.84 BDKRB2 (0.57) BDKRB2OPRD1OPRM1
SCHEMBL31506333 0.84 ACE (0.48) OPRD1OPRM1REN
SCHEMBL29579324 0.81 PSMB9 (0.51) CALCRLRAMP1OPRD1OPRM1PSMB9
SCHEMBL29512247 0.81 CALCRL (0.49) BDKRB2CALCRLRAMP1REN
SCHEMBL31670640 0.81 XIAP (0.38) REN
SCHEMBL30099417 0.80 REN (0.41) OPRD1PSMB9REN
SCHEMBL31454710 0.80 OPRM1 (0.49) BDKRB2OPRD1OPRM1

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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