SCHEMBL6239556

SCHEMBL6239556

N[C@@H](Cc1nc[nH]c1CF)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.46
CYP3A4 P08684 2/20 0.46
GRIA2 P42262 6/20 0.42
GRIA1 P42261 5/20 0.42
GRIA3 P42263 5/20 0.42
GRIA4 P48058 5/20 0.42
GRIK1 P39086 2/20 0.42
CYP1A2 P05177 1/20 0.39
PKM P14618 2/20 0.39
ALPI P09923 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL6239551 1.00 SLC7A5 (0.46) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL5795472 0.84 SLC7A5 (0.46) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL5795467 0.84 SLC7A5 (0.46) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL5280033 0.81 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL8697806 0.81 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL8701267 0.81 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL8701275 0.81 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL5795469 0.78 SLC7A5 (0.46) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL7535154 0.78 SLC7A5 (0.49) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL2815963 0.78 GABRR1 (0.57) SLC7A5CYP3A4GRIA2GRIA1GRIA3

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-2005009471-A1 COMPOSITION FOR LOWERING BLOOD-SUGAR LEVEL OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2005-02-03 WO disclosed