SCHEMBL9028027

SCHEMBL9028027

COc1ccc(C2OC2C#N)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL9028418 0.92 HTR1A (0.47) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL9026824 0.80 IMPDH2 (0.50) KMT2APOLBKDM4EHPGDHSD17B10
SCHEMBL27196389 0.75 HTR1A (0.47) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL9026884 0.74 PDE4D (0.46) HTR1AADRA1DADRA1AADRA1BPDE4A
SCHEMBL10110908 0.74 HTR1A (0.43) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL1506959 0.73 HTR1A (0.53) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL12600028 0.72 HTR1A (0.53) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL9027983 0.71 PDE4D (0.40) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL9026519 0.71 TSHR (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL10641796 0.70 MAOA (0.57) MAOAMAOBHTR1AADRA1DADRA1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558950-B1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA SPA (IT) 1996-12-04 EP claimed
EP-0558950-A1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA S.p.A. (IT) 1993-09-08 EP claimed
EP-0558950-B1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA SPA (IT) 1996-12-04 EP disclosed
US-5436235-A 3-aryl-glycidic ester derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-07-25 US disclosed
EP-0558950-A1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA S.p.A. (IT) 1993-09-08 EP disclosed