SCHEMBL6951243

SCHEMBL6951243

Fc1ccc2oc(CC3CNC=N3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
MPO P05164 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
HTR1A P08908 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
IDO1 P14902 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
Fumaric Acid SCHEMBL8091522 0.90 HRH3 (0.35) ADRA2ACHRM2CHRM4CHRM5CHRM1
Fumaric Acid SCHEMBL8091527 0.90 HRH3 (0.35) ADRA2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL6951696 0.82 ADRA2A (0.56) ADRA2AHTR1AHTR2B
SCHEMBL6957391 0.74 SLC6A2 (0.39) ADRA2AMPO
Fumaric Acid SCHEMBL8092928 0.73 ADRA2A (0.46) ADRA2AHTR1AHTR2BCA12CA1
Fumaric Acid SCHEMBL8092925 0.73 ADRA2A (0.46) ADRA2AHTR1AHTR2BCA12CA1
SCHEMBL8091525 0.70 HDAC3 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1258244 0.69 POLB (0.43) ADRA2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL1258242 0.69 POLB (0.43) ADRA2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL20559454 0.67 LOXL2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed