SCHEMBL8092912

SCHEMBL8092912

O=C(/C=C/C(=O)OC1=NC(CC2CCc3ccc(F)cc3C2)CN1)OC1=NC(CC2CCc3ccc(F)cc3C2)CN1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PRMT5 O14744 2/20 0.34
CYP19A1 P11511 2/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 1/20 0.31
MCHR1 Q99705 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8097409 0.86 CYP19A1 (0.40) CYP19A1HTR1AMCHR1
Fumaric Acid SCHEMBL8092908 0.74 SLC6A4 (0.38) SLC6A4ADRA2AADRA2BADRA2CPRMT5
Fumaric Acid SCHEMBL8092913 0.74 SLC6A4 (0.38) SLC6A4ADRA2AADRA2BADRA2CPRMT5
SCHEMBL6950989 0.71 SLC6A4 (0.45) SLC6A4ADRA2AADRA2BADRA2CCYP19A1
SCHEMBL8091525 0.70 HDAC3 (0.35) HTR1AHTR2AHTR2BHDAC8HDAC6
SCHEMBL9635389 0.66 SLC6A4 (0.44) SLC6A4ADRA2AADRA2BADRA2CCYP19A1
SCHEMBL8085006 0.66 ADRA2A (0.43) SLC6A4ADRA2ACYP19A1HTR1ADRD2
SCHEMBL8091875 0.66 ADRA2A (0.43) SLC6A4ADRA2ACYP19A1HTR1ADRD2
SCHEMBL8093366 0.65 ADRA2A (0.33) ADRA2A
SCHEMBL8090880 0.65 MCHR1 (0.32) MCHR1

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