SCHEMBL27366623

SCHEMBL27366623

NNCC(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.64
HTR2A P28223 3/20 0.52
TAAR1 Q96RJ0 1/20 0.52
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
HRH1 P35367 3/20 0.48
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL29272711 0.78 AOC3 (0.57) AOC3HTR2ATAAR1HRH1KDM4E
SCHEMBL163710 0.78 AOC3 (1.00) AOC3TAAR1
SCHEMBL243368 0.78 AOC3 (1.00) AOC3TAAR1
SCHEMBL13169621 0.78 AOC3 (1.00) AOC3TAAR1KDM4EL3MBTL1
SCHEMBL13862802 0.78 AOC3 (0.57) AOC3HTR2ATAAR1HRH1KDM4E
Hydrochloric Acid SCHEMBL11531581 0.77 AOC3 (0.96) AOC3TAAR1
SCHEMBL19329887 0.75 AOC3 (0.64) AOC3HTR2ATAAR1KDM4EL3MBTL1
SCHEMBL1908636 0.74 TAAR1 (0.64) AOC3HTR2ATAAR1GRIN1GRIN2A
SCHEMBL11529398 0.73 AOC3 (0.57) AOC3
Hydrochloric Acid SCHEMBL32685411 0.72 AOC3 (0.50) AOC3HTR2ATAAR1KDM4EL3MBTL1

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
CN-1051553-A ACAT INHIBITORS WARNER LAMBERT CO (US) 1991-05-22 CN disclosed