SCHEMBL8097409

SCHEMBL8097409

O=C(/C=C/C(=O)OC1=NC(CC2CCc3ccccc3C2)CN1)OC1=NC(CC2CCc3ccccc3C2)CN1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
PREP P48147 6/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
GBA1 P04062 1/20 0.34
NPY1R P25929 1/20 0.34
NPY5R Q15761 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
FAAH O00519 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8092912 0.86 SLC6A4 (0.35) CYP19A1HTR1AMCHR1
SCHEMBL8085006 0.76 ADRA2A (0.43) CYP19A1HTR1A
SCHEMBL8091875 0.76 ADRA2A (0.43) CYP19A1HTR1A
SCHEMBL8091868 0.74 CYP19A1 (0.37) CYP19A1PREPHTR1AHTR1DGBA1
Fumaric Acid SCHEMBL8097408 0.71 CYP19A1 (0.38) CYP19A1PREPHTR1AGBA1MTNR1A
Fumaric Acid SCHEMBL8097411 0.71 CYP19A1 (0.38) CYP19A1PREPHTR1AGBA1MTNR1A
SCHEMBL8084693 0.70 SLC6A2 (0.36)
SCHEMBL8091356 0.69 KDM1A (0.40) CYP19A1
SCHEMBL6950361 0.67 CYP19A1 (0.46) CYP19A1HTR1AGBA1
SCHEMBL8090880 0.67 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