Ornithine

Ornithine

SCHEMBL7792680

CC(=O)Nc1ccc(C=O)cc1.N.NCCC[C@H](N)C(=O)O.O=C(O)Cc1ccc(Br)cc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
FPR2 P25090 1/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 1/20 0.34
HPSE Q9Y251 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
DPP4 P27487 1/20 0.34

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 SCHEMBL7800517 0.97 MEN1 (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
Ornithine Aketoglutarate SCHEMBL7801538 0.93 KMT2A (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
Ornithine SCHEMBL7801537 0.93 KMT2A (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
Phenylacetic Acid SCHEMBL7792817 0.91 LTA4H (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
Phenylacetic Acid SCHEMBL7798038 0.91 LTA4H (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
Ornithine Aketoglutarate SCHEMBL7802612 0.91 KMT2A (0.39) MEN1KMT2AKDM4EMAPTALDH1A1
Ornithine SCHEMBL7802608 0.91 KMT2A (0.39) MEN1KMT2AKDM4EMAPTALDH1A1
Lysine SCHEMBL7802634 0.90 KMT2A (0.40) MEN1KMT2AKDM4ESLC1A3SLC1A2
Lysine SCHEMBL7802639 0.90 KMT2A (0.40) MEN1KMT2AKDM4ESLC1A3SLC1A2
Ornithine SCHEMBL7800424 0.89 MEN1 (0.42) MEN1KMT2AKDM4EMAPTALDH1A1

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