Aspartic Acid

Aspartic Acid

SCHEMBL175033

ClCc1ccc2c(c1)CCNCC2.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
MLNR O43193 6/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
KIF11 P52732 1/20 0.37
CYP2D6 P10635 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
ACHE P22303 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIK3 Q13003 1/20 0.35
GRIK5 Q16478 1/20 0.35

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
Glutamic Acid SCHEMBL175044 0.88 GRIK1 (0.43) MLNRHTR2CHTR2BHTR2AKIF11
Succinic Acid SCHEMBL174914 0.83 HTR2C (0.45) MLNRHTR2CHTR2BHTR2ACYP2D6
Malonic Acid SCHEMBL173339 0.83 HTR2C (0.45) MLNRHTR2CHTR2BHTR2ACYP2D6
Glycolic Acid SCHEMBL174349 0.83 HTR2C (0.45) MLNRHTR2CHTR2BHTR2ACYP2D6
Adipic Acid SCHEMBL173690 0.80 HTR2C (0.42) MLNRHTR2CHTR2BHTR2ACYP2D6
SCHEMBL162032 0.79 HTR2C (0.57) MLNRHTR2CHTR2BHTR2ACYP2D6
Bromide SCHEMBL174563 0.78 HTR2C (0.55) MLNRHTR2CHTR2BHTR2ACYP2D6
Alpha-Ketoglutaric Acid SCHEMBL174620 0.77 MLNR (0.43) MLNRHTR2CHTR2BHTR2ACYP2D6
Sulfuric Acid SCHEMBL174597 0.77 MLNR (0.52) MLNRHTR2CHTR2BHTR2ACYP2D6
Phosphoric Acid SCHEMBL174207 0.77 HTR2C (0.47) MLNRHTR2CHTR2BHTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
EP-2611427-A2 MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT& xA; Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030927-A2 MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed