SCHEMBL8920968

SCHEMBL8920968

CN(C)Cc1ccnc(OC/C=C\CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.43
LOX P28300 6/20 0.43
AOC3 Q16853 1/20 0.38
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
NOS1 P29475 4/20 0.31
NOS2 P35228 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR1E P28566 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30
HTR5A P47898 1/20 0.30
HTR6 P50406 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8920977 1.00 LOXL2 (0.43) LOXL2LOXAOC3CHRNB2CHRNA4
SCHEMBL10674128 0.78 LOXL2 (0.46) LOXL2LOXCHRNB2CHRNA4NOS1
SCHEMBL10375014 0.75 LOXL2 (0.62) LOXL2LOXCHRNB2CHRNA4HTR1A
SCHEMBL8920035 0.74 ADRA2C (0.50) LOXL2LOXAOC3CHRNB2CHRNA4
SCHEMBL8920041 0.74 ADRA2C (0.50) LOXL2LOXAOC3CHRNB2CHRNA4
SCHEMBL10375013 0.73 LOXL2 (0.47) LOXL2LOXCHRNB2CHRNA4NOS1
SCHEMBL15015273 0.73 LOXL2 (0.43) LOXL2LOXCHRNB2CHRNA4NOS1
SCHEMBL9091019 0.73 CYP2D6 (0.31)
SCHEMBL8078636 0.73 ADRA2C (0.52) LOXL2LOXHRH3ALDH1A1
SCHEMBL8078640 0.73 ADRA2C (0.52) LOXL2LOXHRH3ALDH1A1

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-5616579-A ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed