SCHEMBL30712864

SCHEMBL30712864

CC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.60
ACE P12821 5/20 0.60
CPA1 P15085 2/20 0.60
ACE2 Q9BYF1 2/20 0.60
GNPAT O15228 1/20 0.53
TACR1 P25103 1/20 0.53
FPR2 P25090 3/20 0.52
FCER2 P06734 2/20 0.52
MMP9 P14780 2/20 0.52
MMP8 P22894 2/20 0.52
PIN1 Q13526 2/20 0.49
CA2 P00918 1/20 0.49
MMP2 P08253 1/20 0.48

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
SCHEMBL30712855 1.00 MME (0.60) MMEACECPA1ACE2GNPAT
SCHEMBL30712841 0.95 MME (0.55) MMEACECPA1ACE2GNPAT
SCHEMBL29413287 0.93 MME (0.65) MMEACECPA1ACE2GNPAT
SCHEMBL30712844 0.93 MME (0.53) MMEACECPA1ACE2GNPAT
SCHEMBL30712848 0.91 GNPAT (0.55) MMEACECPA1ACE2GNPAT
SCHEMBL30712849 0.90 GNPAT (0.54) MMEACECPA1ACE2GNPAT
SCHEMBL30712853 0.90 GNPAT (0.54) MMEACECPA1ACE2GNPAT
SCHEMBL23178150 0.89 MME (0.60) MMEACECPA1ACE2GNPAT
SCHEMBL29386041 0.89 MME (0.60) MMEACECPA1ACE2GNPAT
SCHEMBL15342313 0.89 MME (0.60) MMEACECPA1ACE2GNPAT

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-20240002438-A1 MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2024-01-04 US disclosed