SCHEMBL8091525

SCHEMBL8091525

O=C(/C=C/C(=O)OC1=NC(Cc2cc3cc(F)ccc3o2)CN1)OC1=NC(Cc2cc3cc(F)ccc3o2)CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRNA7 P36544 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HRH3 Q9Y5N1 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HRH2 P25021 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL8093558 0.80 CYP19A1 (0.37)
Fumaric Acid SCHEMBL8091527 0.74 HRH3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
Fumaric Acid SCHEMBL8091522 0.74 HRH3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8097510 0.72 ADRA2A (0.47)
SCHEMBL6951243 0.70 ADRA2A (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8092589 0.64 ADRA2A (0.47)
SCHEMBL11195819 0.63 ATM (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8097775 0.63 ACHE (0.38) HTR1AHTR2AHTR2B
SCHEMBL8091875 0.62 ADRA2A (0.43) HTR1AHTR2AHRH1HTR2B
SCHEMBL8085006 0.62 ADRA2A (0.43) HTR1AHTR2AHRH1HTR2B

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-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed