SCHEMBL30997451

SCHEMBL30997451

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ NMBR P28336 5/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ NPY1R P25929 2/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY4R P50391 2/20 0.48
▸ ERAP2 Q6P179 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ BRS3 P32247 1/20 0.47

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
SCHEMBL31074791 1.00 MMP1 (0.51) MMP1MMP2MMP8NMBROPRM1
SCHEMBL29784960 0.96 MC4R (0.52) OPRM1OPRD1NPY1RNPY2RNPY4R
SCHEMBL30464868 0.94 NMBR (0.49) MMP1MMP2MMP8NMBROPRM1
SCHEMBL29511010 0.92 MMP1 (0.56) MMP1MMP2MMP8NMBRNPY1R
SCHEMBL30464843 0.92 MC4R (0.55) OPRM1OPRD1
SCHEMBL29968155 0.91 CCKBR (0.55) OPRD1NPY1RNPY2RNPY4R
SCHEMBL30671629 0.91 ACE (0.56) ERAP2ERAP1LNPEP
SCHEMBL31074779 0.91 ACE (0.58) ERAP2ERAP1LNPEP
SCHEMBL5326395 0.91 ACE (0.58) ERAP2ERAP1LNPEP
SCHEMBL9852014 0.91 ACE (0.58) ERAP2ERAP1LNPEP

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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