SCHEMBL27349737

SCHEMBL27349737

N[C@@H](CCC(=O)F)C(=O)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.42
▸ GRM8 O00222 1/20 0.42
▸ GRM6 O15303 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRIK1 P39086 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIK2 Q13002 1/20 0.42
▸ GRIK3 Q13003 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL27349738 1.00 GSR (0.42) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL15871922 0.82 CYP1A2 (0.65) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL19696723 0.80 ALDH1A1 (0.41) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL15582587 0.80 GRIK1 (0.39) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL16272838 0.76 — —
SCHEMBL29803185 0.76 — —
SCHEMBL30759481 0.74 — —
SCHEMBL27960277 0.72 FAAH (0.42) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL31036833 0.72 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1GABRPGABRD
SCHEMBL28486930 0.72 — —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057653-A Be used for the treatment of the glutamic acid difluoride of tumour and the binding substances of folacin compound and antifol HEALTH RESEARCH INC (US) 1992-01-08 — — CN disclosed
CN-1057653-A Be used for the treatment of the glutamic acid difluoride of tumour and the binding substances of folacin compound and antifol HEALTH RESEARCH INC (US) 1992-01-08 — — CN disclosed
CN-1057653-A Be used for the treatment of the glutamic acid difluoride of tumour and the binding substances of folacin compound and antifol HEALTH RESEARCH INC (US) 1992-01-08 — — CN disclosed
CN-1055740-A The glutamic acid difluoride and folic acid and the antifolic conjugates that are used for the treatment of tumor disease MERRELL DOW PHARMA (US) 1991-10-30 — — CN disclosed
CN-1055740-A The glutamic acid difluoride and folic acid and the antifolic conjugates that are used for the treatment of tumor disease MERRELL DOW PHARMA (US) 1991-10-30 — — CN disclosed
CN-1055740-A The glutamic acid difluoride and folic acid and the antifolic conjugates that are used for the treatment of tumor disease MERRELL DOW PHARMA (US) 1991-10-30 — — CN disclosed
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