Aspartic Acid

Aspartic Acid

SCHEMBL162170

ClC[C@@H]1CNCCc2ccccc21.N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SSTR1SSTR2SSTR3SSTR5

The experimentally established mechanism targets of Aspartic Acid. 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
TAAR1 Q96RJ0 1/20 0.40
HTR2C P28335 4/20 0.40
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 3/20 0.37
DRD1 P21728 3/20 0.37
OPRM1 P35372 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
CYP1A2 P05177 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
Aspartic Acid SCHEMBL162152 1.00 TAAR1 (0.40) TAAR1HTR2CHTR2AHTR2BTSHR
Glutamic Acid SCHEMBL158772 0.89 GRM8 (0.39) TAAR1HTR2CHTR2AHTR2BTSHR
Glutamic Acid SCHEMBL161669 0.89 GRM8 (0.39) TAAR1HTR2CHTR2AHTR2BTSHR
Succinic Acid SCHEMBL161276 0.84 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BTSHR
Malonic Acid SCHEMBL160930 0.84 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BTSHR
Glycolic Acid SCHEMBL162065 0.84 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BTSHR
Adipic Acid SCHEMBL174687 0.82 HTR2C (0.48) TAAR1HTR2CHTR2AHTR2BTSHR
Adipic Acid SCHEMBL161399 0.82 HTR2C (0.48) TAAR1HTR2CHTR2AHTR2BTSHR
SCHEMBL163850 0.81 HTR2C (0.57) TAAR1HTR2CHTR2AHTR2BSLC6A2
SCHEMBL162669 0.81 HTR2C (0.57) TAAR1HTR2CHTR2AHTR2BSLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed