SCHEMBL3948980

SCHEMBL3948980

COc1ccc(CN2CCOC[C@H]2C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
DRD4 P21917 1/20 0.44
PDE1B Q01064 1/20 0.44
FKBP1A P62942 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CMA1 P23946 1/20 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
SCHEMBL27669794 1.00 SMN1; SMN2 (0.55) SMN1; SMN2DRD4PDE1BFKBP1ATSHR
SCHEMBL3509984 0.82 SMN1; SMN2 (0.59) SMN1; SMN2DRD4PDE1BALDH1A1GAA
SCHEMBL1458786 0.82 SMN1; SMN2 (0.59) SMN1; SMN2DRD4PDE1BALDH1A1GAA
SCHEMBL696684 0.82 SMN1; SMN2 (0.59) SMN1; SMN2DRD4PDE1BALDH1A1GAA
SCHEMBL20637905 0.81 LTA4H (0.41) SMN1; SMN2FKBP1ATSHRALDH1A1SIGMAR1
SCHEMBL20637907 0.81 LTA4H (0.41) SMN1; SMN2FKBP1ATSHRALDH1A1SIGMAR1
SCHEMBL2443609 0.78 SMN1; SMN2 (0.55) SMN1; SMN2DRD4PDE1BFKBP1ATSHR
SCHEMBL1177324 0.78 SMN1; SMN2 (0.55) SMN1; SMN2DRD4PDE1BFKBP1ATSHR
SCHEMBL1176886 0.78 SIGMAR1 (0.57) SMN1; SMN2FKBP1ATSHRHIF1AEPAS1
SCHEMBL1177023 0.78 SIGMAR1 (0.57) SMN1; SMN2FKBP1ATSHRHIF1AEPAS1

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed