SCHEMBL8041866

SCHEMBL8041866

O=CNNC(=O)OCCCCOc1ccc2c(c1)/C(=N\O)c1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KMT2A Q03164 7/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
SMARCA2 P51531 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
ALDH1A1 P00352 2/20 0.38
APP P05067 1/20 0.38
SNCA P37840 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
SCHEMBL8041857 0.86 KMT2A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8041859 0.86 KMT2A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8040111 0.84 PTPN11 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8053516 0.75 KMT2A (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8052447 0.75 MAPT (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8040104 0.72 KMT2A (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8051518 0.71 KMT2A (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8052438 0.71 KMT2A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8046746 0.70 KMT2A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8052530 0.70 KMT2A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C

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-2009085978-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARCEUTICALS, INC. (US) 2009-07-09 WO disclosed