Ornithine

Ornithine

SCHEMBL7801452

CC(=O)Nc1ccc(C=O)cc1.NCC(=O)O.NCCC[C@H](N)C(=O)O.NCCc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Ornithine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CYP2C9 P11712 1/20 0.40
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
GRIK1 P39086 1/20 0.37
USP2 O75604 1/20 0.37

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
Lysine SCHEMBL7802521 0.97 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
D-Ornithine SCHEMBL7798039 0.97 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Ornithine Aketoglutarate SCHEMBL7798041 0.97 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Ornithine SCHEMBL7802718 0.97 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Ornithine SCHEMBL7792315 0.96 LTA4H (0.44) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Ornithine SCHEMBL7798020 0.96 LTA4H (0.44) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Phenylacetic Acid SCHEMBL7798281 0.94 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Phenylacetic Acid SCHEMBL7798111 0.94 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Phenylacetic Acid SCHEMBL7798109 0.94 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9
Lysine SCHEMBL7801413 0.94 LTA4H (0.47) LTA4HSLC1A3SLC1A2SLC1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed