SCHEMBL11856496

SCHEMBL11856496

CCOC(=O)[C@@H](N)Cc1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.55
TYR P14679 3/20 0.48
SLC7A5 Q01650 5/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL2038370 1.00 GRIA2 (0.55) GRIA2TYRSLC7A5NOS3NOS1
Hydrochloric Acid SCHEMBL4857721 0.98 GRIA2 (0.54) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL30831490 0.86 GRIA2 (0.56) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL5869551 0.86 GRIA2 (0.56) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL1816260 0.86 GRIA2 (0.56) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL30547274 0.86 GRIA2 (0.56) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL2580149 0.86 GRIA2 (0.56) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL31505896 0.86 GRIA2 (0.56) GRIA2TYRSLC7A5NOS3NOS1
SCHEMBL21117864 0.86 ALDH1A1 (0.50) SLC7A5NOS3NOS1NOS2
SCHEMBL20543766 0.86 ALDH1A1 (0.50) SLC7A5NOS3NOS1NOS2

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
US-3961060-A DOPA, M-TYROSINE, APOMORPHINE, PIPERAZINE DERIVATIVE ASTRA LAKEMEDAL AKTIEBOLAG (SW) 1976-06-01 US disclosed