SCHEMBL9697803

SCHEMBL9697803

CC(N)CCC(C[PH](=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.43
SLC1A3 P43003 6/20 0.43
SLC1A1 P43005 6/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
GRIK1 P39086 4/20 0.36

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
SCHEMBL9697797 0.89 SLC1A2 (0.40) SLC1A2SLC1A3SLC1A1GABRPGABRD
SCHEMBL4082420 0.82 SLC1A1 (0.48) SLC1A2SLC1A3SLC1A1GRIK1GRIK2
SCHEMBL10587255 0.78 GABRR1 (0.41) SLC1A2SLC1A3SLC1A1GRIK1GRIK2
SCHEMBL18556768 0.75 CA2 (0.56) SLC1A2SLC1A3SLC1A1GABRPGABRD
SCHEMBL2989325 0.74 SLC1A3 (0.50) SLC1A2SLC1A3SLC1A1CHRM1AKR1A1
SCHEMBL4269623 0.74 FOLH1 (0.56) SLC1A2SLC1A3SLC1A1GRIK1GRIK2
Methane SCHEMBL28186622 0.72 FOLH1 (0.54) SLC1A2SLC1A3SLC1A1GRIK1GRIK2
SCHEMBL5696058 0.72 FOLH1 (0.55) SLC1A2SLC1A3SLC1A1GABRPGABRD
Butane SCHEMBL27527358 0.72 FOLH1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10485819 0.71

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-5099063-A 3-(1-aminoalkylphosphinyl)-(2-substituted)propionic acids MERCK & CO., INC. (US) 1992-03-24 US disclosed