SCHEMBL7019969

SCHEMBL7019969

CCOC(=O)OC1CCN(c2nc(NCc3ccccc3)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.49
CNR1 P21554 2/20 0.49
GPR55 Q9Y2T6 2/20 0.49
PDE5A O76074 1/20 0.46
ACACA Q13085 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
KCNH2 Q12809 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL7022055 0.94 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7009771 0.90 PDE5A (0.50) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7013403 0.89 MAPT (0.45) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL8181825 0.89 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7020386 0.89 MAPT (0.44) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7014106 0.89 HTT (0.41) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7016750 0.88 CNR1 (0.46) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7016674 0.88 PTPN12 (0.47) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7011555 0.87 PDE5A (0.44) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7012439 0.86 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2MAPTNPSR1

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