SCHEMBL30625852

SCHEMBL30625852

NC(=O)CC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.58
OPRM1 P35372 2/20 0.58
LTA4H P09960 1/20 0.55
CCKBR P32239 7/20 0.54
CCKAR P32238 2/20 0.54
GHSR Q92847 1/20 0.53
KISS1R Q969F8 1/20 0.52
ACE P12821 1/20 0.52
KMT2A Q03164 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
SCHEMBL30387769 0.96 OPRD1 (0.58) OPRD1OPRM1LTA4HCCKBRCCKAR
SCHEMBL17941660 0.92 LTA4H (0.59) LTA4HGHSRACEKMT2A
SCHEMBL17941661 0.92 LTA4H (0.59) LTA4HGHSRACEKMT2A
SCHEMBL31485778 0.88 ERAP2 (0.57) OPRD1LTA4HCCKBRCCKARGHSR
SCHEMBL30436233 0.88 OPRM1 (0.59) OPRD1OPRM1LTA4HACE
SCHEMBL9194598 0.88 CCKBR (0.54) OPRD1OPRM1CCKBRCCKAR
SCHEMBL9194589 0.88 CCKBR (0.54) OPRD1OPRM1CCKBRCCKAR
SCHEMBL30502977 0.88 OPRD1 (0.69) OPRD1OPRM1LTA4HCCKBRCCKAR
SCHEMBL29366904 0.88 ERAP2 (0.60) OPRD1OPRM1LTA4HACEKMT2A
SCHEMBL30051323 0.87 OPRM1 (0.68) OPRD1OPRM1LTA4HACEKMT2A

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-110914309-B Polymer-coated substrates for the selective isolation of cells or for cell culture 国立大学法人富山大学 2023-10-24 CN claimed