Ornithine

Ornithine

SCHEMBL7801382

CCCC(=O)Nc1ccc(C=O)cc1.NCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

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 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.48
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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 SCHEMBL7801365 0.97 LTA4H (0.47) LTA4HPOLBTDP1ALDH1A1MAPT
Ornithine SCHEMBL7802559 0.96 POLB (0.48) LTA4HPOLBTDP1ALDH1A1MAPT
Ornithine Aketoglutarate SCHEMBL7800088 0.95 LTA4H (0.52) LTA4HPOLBTDP1ALDH1A1MAPT
Ornithine SCHEMBL7800091 0.95 LTA4H (0.52) LTA4HPOLBTDP1ALDH1A1MAPT
4-Chloro-Benzoic Acid SCHEMBL7798233 0.94 LTA4H (0.44) LTA4HPOLBTDP1ALDH1A1MAPT
4-Chloro-Benzoic Acid SCHEMBL7798237 0.94 LTA4H (0.44) LTA4HPOLBTDP1ALDH1A1MAPT
Ornithine SCHEMBL7792821 0.94 LTA4H (0.50) LTA4HPOLBTDP1ALDH1A1MAPT
Ornithine SCHEMBL7792287 0.94 LTA4H (0.48) LTA4HALDH1A1MAPTHPGDSLC1A3
Lysine SCHEMBL7792717 0.93 POLB (0.48) LTA4HPOLBTDP1ALDH1A1MAPT
Ornithine SCHEMBL7798535 0.93 LTA4H (0.49) LTA4HPOLBTDP1ALDH1A1MAPT

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-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed