SCHEMBL7016750

SCHEMBL7016750

CCOC(=O)OC1CCN(c2nc(NCc3ccc4c(c3)OCCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAPT P10636 5/20 0.43
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39

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
SCHEMBL7016674 0.96 PTPN12 (0.47) CNR1CNR2GPR55MAPTHTT
SCHEMBL7015240 0.91 PDE4A (0.45) CNR1CNR2GPR55MAPTHTT
SCHEMBL8184822 0.90 PDE4A (0.45) CNR1CNR2GPR55MAPTHTT
SCHEMBL7013403 0.89 MAPT (0.45) CNR1GPR55MAPTHTTSMN1; SMN2
SCHEMBL7013985 0.89 PTPN12 (0.43) CNR1CNR2GPR55MAPTHTT
SCHEMBL7011351 0.88 PDE4A (0.42) MAPTHTTSMN1; SMN2NPSR1MEN1
SCHEMBL7022055 0.88 SMN1; SMN2 (0.49) CNR1GPR55MAPTHTTSMN1; SMN2
SCHEMBL7019969 0.88 MEN1 (0.49) CNR1GPR55MAPTHTTSMN1; SMN2
SCHEMBL7020386 0.87 MAPT (0.44) CNR1GPR55MAPTHTTSMN1; SMN2
SCHEMBL7018811 0.87 PDE4A (0.45) MAPTNPSR1MEN1KMT2APDE4A

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
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed