SCHEMBL9799241

SCHEMBL9799241

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 1/20 0.50
▸ BHMT2 Q9H2M3 1/20 0.50
▸ GABRR1 P24046 2/20 0.48
▸ GSR P00390 2/20 0.48
▸ SLC7A5 Q01650 1/20 0.48
▸ GRM8 O00222 1/20 0.48
▸ GRM6 O15303 1/20 0.48
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ GRIK1 P39086 1/20 0.48
▸ GRM5 P41594 1/20 0.48
▸ GRIA1 P42261 1/20 0.48
▸ GRIA2 P42262 1/20 0.48
▸ GRIA3 P42263 1/20 0.48
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ GRIA4 P48058 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48

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
SCHEMBL6440397 0.88 GABRR1 (0.61) BHMTBHMT2GABRR1GSRSLC7A5
SCHEMBL6440050 0.88 GABRR1 (0.61) BHMTBHMT2GABRR1GSRSLC7A5
SCHEMBL28927957 0.86 GABRR1 (0.41) BHMTBHMT2GABRR1SLC7A5CYP1A2
SCHEMBL17164633 0.83 GSR (0.54) BHMTBHMT2GSRGRM8GRM6
SCHEMBL2348277 0.83 GABRR1 (0.59) GABRR1CYP1A2BLM
SCHEMBL5323838 0.82 KMT2A (0.52) BHMTBHMT2GABRR1GSRSLC7A5
SCHEMBL602426 0.80 GSR (0.68) BHMTBHMT2GSRSLC7A5GRM8
SCHEMBL8068164 0.80 GSR (0.68) BHMTBHMT2GSRSLC7A5GRM8
SCHEMBL13410354 0.80 GABRR1 (0.46) GABRR1CYP1A2BLM
SCHEMBL8234927 0.79 GRIK1 (0.52) BHMTBHMT2GSRSLC7A5GRM8

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-0412104-A1 COLD MARKING OF MOLECULES OF PEPTIDIC OR PROTEINIC NATURE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1991-02-13 — — EP disclosed
WO-1989010372-A1 COLD MARKING OF MOLECULES OF PEPTIDIC OR PROTEINIC NATURE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 1989-11-02 — — WO disclosed
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