SCHEMBL367767

SCHEMBL367767

O=[N+]([O-])C[C@@H](Cc1ccccn1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
PTPRA P18433 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
MGMT P16455 1/20 0.37
DPP4 P27487 2/20 0.36
CNR1 P21554 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SLC6A4 P31645 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL366526 0.93 CNR1 (0.42) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL1987162 0.76 FDPS (0.45) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL367309 0.74 PTPRA (0.46) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL366969 0.71 FDPS (0.41) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL14834767 0.70 GRIN2D (0.46) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL26109325 0.70 PTPRA (0.53) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL27657194 0.70 FDPS (0.45) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL27657192 0.70 PTPRA (0.53) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL10065055 0.69 GSK3B (0.45) KDM4EALDH1A1KMT2AL3MBTL1POLB
SCHEMBL14917388 0.69 GSK3B (0.45) KDM4EALDH1A1KMT2AL3MBTL1POLB

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-2012009372-A2 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-01-19 WO disclosed