SCHEMBL366526

SCHEMBL366526

O=[N+]([O-])C[C@@H](Cc1ccccn1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
FDPS P14324 1/20 0.38
PTPRA P18433 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 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
SCHEMBL367767 0.93 FDPS (0.41) CNR1FDPSPTPRAKMT2AKDM4E
SCHEMBL1987162 0.73 FDPS (0.45) CNR1FDPSPTPRAKMT2ASMN1; SMN2
SCHEMBL14916629 0.72 GRM4 (0.46) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14916628 0.72 GRM4 (0.46) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL367309 0.71 PTPRA (0.46) CNR1FDPSPTPRAKMT2ASMN1; SMN2
SCHEMBL14917222 0.70 GRM4 (0.45) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10064950 0.70 GRM4 (0.45) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL366969 0.69 FDPS (0.41) FDPSPTPRASMN1; SMN2ALDH1A1GRIN2D
SCHEMBL17680191 0.69 NPC1 (0.40) HPGDRECQLFDPSPTPRARAB9A
SCHEMBL16256360 0.67 NPC1 (0.39) HPGDRECQLFDPSPTPRARAB9A

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