SCHEMBL8968690

SCHEMBL8968690

CCC(OC)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.38
SLC6A4 P31645 3/20 0.37
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.35
SLC6A2 P23975 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL726138 0.89 AOC3 (0.44) AOC3SLC6A4CYP1A2SLC6A2CHRM2
SCHEMBL28893556 0.84 SLC6A4 (0.39) SLC6A4HTR2AMEN1KMT2ANPSR1
SCHEMBL9691798 0.83 SLC6A4 (0.38) AOC3SLC6A4HTR2AMEN1KMT2A
SCHEMBL28429811 0.81 SLC6A4 (0.38) SLC6A4HTR2AMEN1KMT2ANPSR1
SCHEMBL8168288 0.81 CYP1A2 (0.38) AOC3SLC6A4HTR2ACYP1A2SLC6A2
SCHEMBL7699744 0.81 HTR2A (0.48) AOC3SLC6A4HTR2ACYP1A2SLC6A2
SCHEMBL8250743 0.81 CYP1A2 (0.38) AOC3SLC6A4HTR2ACYP1A2SLC6A2
SCHEMBL8250967 0.81 SLC6A4 (0.38) AOC3SLC6A4HTR2ACYP1A2SLC6A2
SCHEMBL8750362 0.80 AOC3 (0.39) AOC3SLC6A4MEN1KMT2ACYP1A2
SCHEMBL8581903 0.79 CYP1A2 (0.39) AOC3SLC6A4MEN1KMT2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362833-B Double anthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2023-04-25 CN disclosed
CN-111362833-A Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2020-07-03 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed