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SCHEMBL31289569

SCHEMBL31289569

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 14/20 0.58
▸ OPRD1 P41143 2/20 0.53
▸ PREP P48147 1/20 0.53
▸ F2 P00734 1/20 0.52
▸ MRGPRX2 Q96LB1 1/20 0.52

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
SCHEMBL30549403 0.91 BDKRB2 (0.63) BDKRB2OPRD1F2
SCHEMBL30526215 0.90 BDKRB2 (0.68) BDKRB2OPRD1F2
SCHEMBL25335885 0.90 BDKRB2 (0.68) BDKRB2OPRD1F2
SCHEMBL30526211 0.90 BDKRB2 (0.61) BDKRB2OPRD1PREPMRGPRX2
SCHEMBL30672603 0.89 BDKRB2 (0.66) BDKRB2OPRD1F2
SCHEMBL31289571 0.89 BDKRB2 (0.66) BDKRB2OPRD1F2
SCHEMBL29496923 0.89 BDKRB2 (0.62) BDKRB2OPRD1F2
SCHEMBL31289572 0.89 BDKRB2 (0.66) BDKRB2OPRD1F2
SCHEMBL30672572 0.87 BDKRB2 (0.72) BDKRB2OPRD1PREP
SCHEMBL8702229 0.87 NMUR2 (0.55) BDKRB2OPRD1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259525-A1 NANOPARTICLES COMPRISING N,N,N-TRIMETHYL CHITOSAN COATED WITH PEPTIDE AGONISTS OF KININ B1 OR B2 AND/OR PEPTIDE ANTAGONISTS OF KININ B1 FOR TRANSVASCULAR DRUG DELIVERY ACROSS THE BLOOD-BRAIN BARRIER SOCIETE DE COMMERCIALISATION DES PRODUITS DE LA RECHERCHE APPLIQUEE SOCPRA SANTE ET HUMAINES, S.E.C. (CA) 2024-12-26 — — WO claimed
WO-2024259525-A1 NANOPARTICLES COMPRISING N,N,N-TRIMETHYL CHITOSAN COATED WITH PEPTIDE AGONISTS OF KININ B1 OR B2 AND/OR PEPTIDE ANTAGONISTS OF KININ B1 FOR TRANSVASCULAR DRUG DELIVERY ACROSS THE BLOOD-BRAIN BARRIER SOCIETE DE COMMERCIALISATION DES PRODUITS DE LA RECHERCHE APPLIQUEE SOCPRA SANTE ET HUMAINES, S.E.C. (CA) 2024-12-26 — — WO disclosed
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