SCHEMBL12532007

SCHEMBL12532007

C[C@@H](O)Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.59
FDPS P14324 1/20 0.55
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HRH1 P35367 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL1039370 1.00 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL7979864 1.00 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL29785749 1.00 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL27748420 0.85 PTPRA (0.53) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL28616104 0.84 PTPRA (0.56) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL6921059 0.83 PTPRA (0.63) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL2352782 0.83 GRIN2D (0.55) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL104860 0.83 GRIN2D (0.55) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL22420956 0.82 GRIN2D (0.51) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL20279037 0.82 GRIN2D (0.51) PTPRAFDPSGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
EP-2115153-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2013-06-05 EP disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO disclosed