SCHEMBL28580243

SCHEMBL28580243

N[C@@H](CO)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
FDPS P14324 1/20 0.51
PTPRA P18433 1/20 0.51
DPP4 P27487 1/20 0.48
HRH1 P35367 2/20 0.47
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14860365 1.00 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4310764 1.00 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL22263975 0.98 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6997949 0.88 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20279216 0.85 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20099916 0.85 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28581308 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28586290 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28581306 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL230643 0.82 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed