SCHEMBL8097775

SCHEMBL8097775

O=C(/C=C/C(=O)OC1=NC(CC2=Cc3ccccc3C2)CN1)OC1=NC(CC2=Cc3ccccc3C2)CN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
PREP P48147 1/20 0.33
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 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
SCHEMBL8092401 0.90 ADRA2A (0.43) ADRA2AHTR1AHTR2AHTR7DRD3
SCHEMBL8091875 0.90 ADRA2A (0.43) ADRA2AHTR1AHTR2AHTR7DRD3
SCHEMBL8085006 0.90 ADRA2A (0.43) ADRA2AHTR1AHTR2AHTR7DRD3
SCHEMBL8090880 0.78 MCHR1 (0.32)
SCHEMBL8092828 0.75 ADRA2A (0.33) ADRA2A
SCHEMBL8093366 0.75 ADRA2A (0.33) ADRA2A
SCHEMBL8097510 0.75 ADRA2A (0.47) ADRA2A
SCHEMBL8092589 0.75 ADRA2A (0.47) ADRA2A
SCHEMBL8097409 0.75 CYP19A1 (0.40) PREPHTR1A
SCHEMBL8084748 0.74 CYP11B2 (0.39) ADRA2A

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