SCHEMBL4023784

SCHEMBL4023784

CCC(N)N(CC(=O)O)C(N)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
FFAR3 O14843 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34

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
SCHEMBL4955499 0.82 ALDH1A1 (0.41) SLC1A3SLC1A2SLC1A1FFAR3TDP1
SCHEMBL17375959 0.81 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1FFAR3TDP1
SCHEMBL20214815 0.77 SLC6A2 (0.33) TSHRSLC6A2SLC6A4CYP2C19BLM
SCHEMBL9595197 0.76 BHMT (0.34) SLC1A3SLC1A2SLC1A1FFAR3TDP1
SCHEMBL676800 0.75 GABRP (0.42) TDP1EYA2APPACEGABRP
SCHEMBL15284072 0.73 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
Hydrochloric Acid SCHEMBL9406488 0.73 GABRP (0.41) TDP1EYA2APPACEGABRP
SCHEMBL8948437 0.73 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
Propionic Acid SCHEMBL27996413 0.71 FFAR3 (0.48) SLC1A3SLC1A2SLC1A1FFAR3TDP1
SCHEMBL30063665 0.71 DPP4 (0.43) SLC1A3SLC1A2SLC1A1FFAR3TDP1

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
EP-1928508-B1 BIOTIN DIAMINODERIVATIVES AND THEIR CONJUGATES WITH MACROCYCLIC CHELATING AGENTS SIGMA TAU IND FARMACEUTI (IT) 2009-11-11 EP disclosed
WO-2008077194-A1 RECEPTOR AGONISTS XENOME LTD (AU) 2008-07-03 WO disclosed