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SCHEMBL8097280

SCHEMBL8097280

O=C(/C=C/C(=O)OC1=NCC(CC2=Cc3ccccc3CC2)N1)OC1=NCC(CC2=Cc3ccccc3CC2)N1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.50
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL8085006 0.79 ADRA2A (0.43) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL8091875 0.79 ADRA2A (0.43) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL8092401 0.79 ADRA2A (0.43) ADRA2AHTR1ADRD2HTR2AHTR2C
Fumaric Acid SCHEMBL8097275 0.71 ADRA2A (0.80) ADRA2A
Fumaric Acid SCHEMBL8097282 0.71 ADRA2A (0.80) ADRA2A
SCHEMBL8084346 0.70 ADRA2A (0.34) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL27519779 0.70 ADRA2A (0.47) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL8097775 0.69 ACHE (0.38) ADRA2AHTR1AHTR2AHTR7DRD3
SCHEMBL8091356 0.68 KDM1A (0.40) ADRA2A
SCHEMBL27486279 0.67 ADRA2A (0.40) ADRA2AHTR1ADRD2HTR2AHTR2C

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