SCHEMBL7798155

SCHEMBL7798155

COc1ccccc1CN.NCC[C@H](N)C(=O)O.O=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 10/20 0.43
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CSNK1D P48730 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL7798158 1.00 SLC1A5 (0.43) SLC1A5GRIK1GRIK2GRIK3TDP1
Glycine SCHEMBL7800738 0.97 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1
Ornithine SCHEMBL7800082 0.94 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1
Ornithine Aketoglutarate SCHEMBL7800084 0.94 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1
Phenylacetic Acid SCHEMBL7801659 0.94 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3KDM4E
Phenylacetic Acid SCHEMBL7801662 0.94 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3KDM4E
Lysine SCHEMBL7802117 0.93 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1
Lysine SCHEMBL7800225 0.93 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1
Lysine SCHEMBL7802115 0.93 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1
Ornithine SCHEMBL7801547 0.93 SLC1A5 (0.41) SLC1A5GRIK1GRIK2GRIK3TDP1

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