SCHEMBL5615751

SCHEMBL5615751

CCCCC(C(=O)C(C)N)[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.49
SLC1A1 P43005 3/20 0.49
SLC1A3 P43003 2/20 0.49
SLC15A1 P46059 1/20 0.47
CA2 P00918 5/20 0.47
MAPK1 P28482 1/20 0.47
DPP7 Q9UHL4 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
GRIK1 P39086 3/20 0.43
GRIK2 Q13002 3/20 0.43
CA1 P00915 4/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
SLC7A5 Q01650 1/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL482961 0.85 CPB2 (0.44) SLC1A2SLC1A1SLC1A3SLC7A5
SCHEMBL482963 0.85 CPB2 (0.44) SLC1A2SLC1A1SLC1A3SLC7A5
SCHEMBL29126191 0.84 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3SLC15A1CA2
SCHEMBL7864753 0.84 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3SLC15A1CA2
SCHEMBL9203696 0.80 CA2 (0.50) SLC1A2SLC1A1SLC1A3SLC15A1CA2
Bromide SCHEMBL9295134 0.79 CA2 (0.49) SLC1A2SLC1A1SLC1A3SLC15A1CA2
Bromide SCHEMBL9295139 0.79 CA2 (0.49) SLC1A2SLC1A1SLC1A3SLC15A1CA2
SCHEMBL5296286 0.76 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3SLC15A1CA2
SCHEMBL8666519 0.76 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3SLC15A1CA2
SCHEMBL7202198 0.76 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3SLC15A1CA2

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-2007016597-A2 TARGETING TNF-ALPHA CONVERTING ENZYME (TACE)-DEPENDENT GROWTH FACTOR SHEDDING IN CANCER THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-08 WO disclosed