SCHEMBL11235526

SCHEMBL11235526

C[C@@H](N)Cc1ccc(C(=O)[C@@H](N)CC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL8844863 0.84 SLC7A5 (0.57) SLC6A3
SCHEMBL8214893 0.82 ALDH1A1 (0.44)
Potassium Ion SCHEMBL8844851 0.81 TPH1 (0.43)
SCHEMBL251733 0.79 ANPEP (0.62) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL5183224 0.79 ANPEP (0.62) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL2439514 0.79 ANPEP (0.62) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Dextroamphetamine SCHEMBL3681578 0.79 SLC6A2 (0.63) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Levamfetamine SCHEMBL4596702 0.79 SLC6A2 (0.63) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Amphetamine SCHEMBL1030966 0.79 SLC6A2 (0.63) TAAR1SLC6A2SLC6A4SLC6A3MAOA
Amphetamine SCHEMBL1030967 0.79 SLC6A2 (0.63) TAAR1SLC6A2SLC6A4SLC6A3MAOA

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
US-4338346-A Non-nutritive sweetener THE PROCTER & GAMBLE COMPANY (US) 1982-07-06 US disclosed
EP-0013044-A1 L-aspartyl amide derivatives and their use as sweetening agents THE PROCTER & GAMBLE COMPANY (US) 1980-07-09 EP disclosed