Ornithine

Ornithine

SCHEMBL7792407

NCC(=O)O.NCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=Cc1ccc(-c2ccccc2)cc1

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
GRIK1 P39086 3/20 0.41
GRIK2 Q13002 1/20 0.40
GSR P00390 1/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 2/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MME P08473 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 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 SCHEMBL7800249 0.97 GSR (0.44) GRIK1GRIK2GSRMC4RMC5R
Ornithine SCHEMBL7792563 0.96 GRIK1 (0.44) GRIK1GRIK2GSRMC4RMC5R
Ornithine Aketoglutarate SCHEMBL7792564 0.96 GRIK1 (0.44) GRIK1GRIK2GSRMC4RMC5R
Ornithine SCHEMBL7798279 0.95 GRIK1 (0.43) GRIK1GRIK2GSRMC4RMC5R
Ornithine Aketoglutarate SCHEMBL7798068 0.94 GRIK1 (0.41) GRIK1GRIK2GSRMC4RMC5R
Ornithine SCHEMBL7798070 0.94 GRIK1 (0.41) GRIK1GRIK2GSRMC4RMC5R
Phenylacetic Acid SCHEMBL7797963 0.93 ABCC4 (0.43) GRIK1GRIK2GSRMC4RMC5R
Phenylacetic Acid SCHEMBL7797965 0.93 ABCC4 (0.43) GRIK1GRIK2GSRMC4RMC5R
Ornithine SCHEMBL7801425 0.93 GRIK1 (0.41) GRIK1GRIK2GSRMC4RMC5R
Lysine SCHEMBL7800170 0.93 GSR (0.48) GRIK1GRIK2GSRMC4RMC5R

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