SCHEMBL30493752

SCHEMBL30493752

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.57
GRIA1 P42261 1/20 0.57
NPY4R P50391 3/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
GNPAT O15228 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NPY5R Q15761 1/20 0.51

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
SCHEMBL13563436 1.00 ACE (0.57) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL13563434 0.95 ACE (0.60) ACEGNPAT
SCHEMBL13563442 0.95 ACE (0.60) ACEGNPAT
SCHEMBL13563439 0.95 ACE (0.60) ACEGNPAT
SCHEMBL6518708 0.94 ACE (0.55) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL468899 0.94 ACE (0.55) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL30863541 0.93 GRIA1 (0.54) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL30493794 0.92 ACE (0.56) ACEGRIA1NPY4RPTPN2PTPN1
SCHEMBL30493688 0.91 NPY4R (0.59) ACENPY4RNPY1RNPY2RNPY5R
SCHEMBL25627344 0.89 BACE1 (0.55) ACEGNPAT

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
EP-3777876-B1 N-ACYLDIPEPTIDE DERIVATIVES AND THEIR USES NEOSTRATA COMPANY INC (US) 2023-08-09 EP claimed
EP-3777876-B1 N-ACYLDIPEPTIDE DERIVATIVES AND THEIR USES NEOSTRATA COMPANY INC (US) 2023-08-09 EP disclosed