SCHEMBL31297113

SCHEMBL31297113

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.47
▸ NTMT1 Q9BV86 2/20 0.46
▸ TLR2 O60603 2/20 0.45
▸ ACE P12821 3/20 0.44
▸ PRCP P42785 1/20 0.44
▸ FAP Q12884 1/20 0.43
▸ FDFT1 P37268 1/20 0.42
▸ MDM2 Q00987 4/20 0.41
▸ OPRM1 P35372 1/20 0.41

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
SCHEMBL31297111 0.92 TLR2 (0.46) F2NTMT1TLR2PRCPFAP
SCHEMBL29777648 0.89 ACE (0.49) F2NTMT1TLR2ACEPRCP
SCHEMBL29467321 0.88 F2 (0.45) F2PRCPFAPFDFT1MDM2
SCHEMBL31297108 0.88 REN (0.46) FAPOPRM1
SCHEMBL31297115 0.88 APLNR (0.45) TLR2FDFT1OPRM1
SCHEMBL31500760 0.88 PRCP (0.51) F2TLR2ACEPRCPFDFT1
SCHEMBL30313466 0.87 TLR2 (0.48) TLR2ACEPRCPFAPMDM2
SCHEMBL29750784 0.87 ACE (0.45) F2NTMT1TLR2ACEPRCP
SCHEMBL29777663 0.87 PRCP (0.48) F2TLR2ACEPRCPFDFT1
SCHEMBL31603930 0.86 F2 (0.46) F2TLR2ACEPRCPFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113474356-B Peptides and pharmaceutical compositions for the treatment of ocular diseases 株式会社柳柳制药 2024-12-17 — — CN disclosed
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