SCHEMBL7350554

SCHEMBL7350554

COc1ccc(C(C)C#N)cc1OCCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.46
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 3/20 0.41
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7615773 0.87 PDE4B (0.55) PDE4BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7358235 0.81 PDE4B (0.46) PDE4BACHEDRD2DRD4
SCHEMBL9841161 0.79 ACHE (0.55) PDE4BALDH1A1L3MBTL1ACHETSHR
SCHEMBL24812331 0.77 FDPS (0.49) PDE4BSMN1; SMN2L3MBTL1DRD2DRD4
SCHEMBL7322576 0.75 PDE4A (0.55) PDE4B
SCHEMBL7350036 0.74 PDE4B (0.43) PDE4B
SCHEMBL14976645 0.71 ALDH1A1 (0.50) PDE4BALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL22713924 0.70 PDE4B (0.52) PDE4BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1679244 0.70 ACHE (0.42) PDE4BALDH1A1ACHETSHRRAB9A
SCHEMBL6584615 0.69 PDE4B (0.60) PDE4B

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-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 US disclosed