Ornithine

Ornithine

SCHEMBL7802559

CCCCC(=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 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTA4H P09960 9/20 0.47
ALDH1A1 P00352 2/20 0.46
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40

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 SCHEMBL7792717 0.97 POLB (0.48) POLBTDP1LTA4HALDH1A1SLC1A3
Ornithine SCHEMBL7801382 0.96 LTA4H (0.48) POLBTDP1LTA4HALDH1A1SLC1A3
Ornithine Aketoglutarate SCHEMBL7798488 0.95 LTA4H (0.51) POLBTDP1LTA4HALDH1A1SLC1A3
Ornithine SCHEMBL7798491 0.95 LTA4H (0.51) POLBTDP1LTA4HALDH1A1SLC1A3
Lysine SCHEMBL7801365 0.93 LTA4H (0.47) POLBTDP1LTA4HALDH1A1SLC1A3
Lysine SCHEMBL7800220 0.93 LTA4H (0.50) POLBTDP1LTA4HALDH1A1SLC1A3
Lysine SCHEMBL7800215 0.93 LTA4H (0.50) POLBTDP1LTA4HALDH1A1SLC1A3
Phenylacetic Acid SCHEMBL7800120 0.91 LTA4H (0.47) POLBTDP1LTA4HALDH1A1SLC1A3
Phenylacetic Acid SCHEMBL7800123 0.91 LTA4H (0.47) POLBTDP1LTA4HALDH1A1SLC1A3
Ornithine SCHEMBL7800091 0.91 LTA4H (0.52) POLBTDP1LTA4HALDH1A1SLC1A3

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