SCHEMBL9307239

SCHEMBL9307239

PCN1CCN(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRNA7 P36544 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
P2RX7 Q99572 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
KCNH2 Q12809 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
SCHEMBL27610240 0.84 CHRNA7 (0.50) MAPK1MAPTHTTNPSR1DRD4
SCHEMBL15315675 0.83 SIGMAR1 (0.52) DRD4DRD2SMN1; SMN2CYP2D6CHRM2
SCHEMBL13699526 0.83 SIGMAR1 (0.52) DRD4DRD2SMN1; SMN2CYP2D6CHRM2
SCHEMBL7964674 0.81 MAPK1 (0.48) MAPK1MAPTHTTNPSR1DRD4
SCHEMBL13134572 0.81 DRD2 (0.54) MAPK1MAPTDRD4DRD2P2RX7
SCHEMBL13699639 0.75 MAPT (0.42) MAPK1MAPTHTTNPSR1HDAC1
SCHEMBL22055123 0.75 HDAC1 (0.55) MAPK1MAPTHTTNPSR1DRD4
SCHEMBL3231048 0.74 L3MBTL1 (0.46) MAPK1MAPTHTTNPSR1CHRNA7
SCHEMBL11784182 0.72 CHRNA7 (0.43) MAPK1DRD4DRD2CHRNA7P2RX7
SCHEMBL11958053 0.72 DRD4 (0.56) DRD4CYP2D6

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
US-5342929-A Direct glycosylation leads to the desired glycosides in high yield and relatively short reaction times using metal complex salts; large amounts of the alpha- or beta-form are often obtained CIBA-GEIGY CORPORATION (US) 1994-08-30 US disclosed