SCHEMBL8091875

SCHEMBL8091875

O=C(/C=C/C(=O)OC1=NC(CC2=Cc3ccccc3CC2)CN1)OC1=NC(CC2=Cc3ccccc3CC2)CN1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NISCH Q9Y2I1 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
SCHEMBL8092401 1.00 ADRA2A (0.43) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL8085006 1.00 ADRA2A (0.43) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL8097775 0.90 ACHE (0.38) ADRA2AHTR1AHTR2AHTR7DRD3
SCHEMBL8093366 0.85 ADRA2A (0.33) ADRA2A
SCHEMBL8090880 0.85 MCHR1 (0.32)
SCHEMBL8097510 0.85 ADRA2A (0.47) ADRA2A
SCHEMBL8084748 0.83 CYP11B2 (0.39) ADRA2ACYP19A1CYP11B1CYP11B2
SCHEMBL8092828 0.83 ADRA2A (0.33) ADRA2A
SCHEMBL8092589 0.83 ADRA2A (0.47) ADRA2A
SCHEMBL8096702 0.81 ADRA2A (0.32) ADRA2ACYP19A1

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