SCHEMBL29512206

SCHEMBL29512206

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](C)NC(=O)CN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 3/20 0.49
▸ OPRM1 P35372 3/20 0.48
▸ OPRD1 P41143 3/20 0.48
▸ CMA1 P23946 1/20 0.46
▸ RAMP1 O60894 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL29512231 0.91 BDKRB2 (0.48) CALCRLOPRM1OPRD1RAMP1OPRK1
SCHEMBL31506333 0.87 ACE (0.48) OPRM1OPRD1ACE
SCHEMBL31670606 0.87 ACE (0.49) CALCRLOPRM1OPRD1RAMP1ACE
SCHEMBL29512235 0.87 OPRD1 (0.54) CALCRLOPRM1OPRD1
SCHEMBL30495505 0.82 OPRM1 (0.54) CALCRLOPRM1OPRD1ACE
SCHEMBL31472819 0.81 NMUR2 (0.50) OPRM1OPRD1OPRK1
SCHEMBL29579324 0.80 PSMB9 (0.51) CALCRLOPRM1OPRD1RAMP1OPRK1
SCHEMBL29567394 0.80 OPRD1 (0.50) OPRM1OPRD1CMA1OPRK1
SCHEMBL29874708 0.80 OPRD1 (0.50) OPRM1OPRD1CMA1OPRK1
SCHEMBL30389973 0.79 OPRD1 (0.52) OPRM1OPRD1

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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