SCHEMBL28087490

SCHEMBL28087490

CCOC(C1CCN(c2cc(C3CC3)sc2-c2ccccc2OC)CC1)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD4 P21917 3/20 0.37
HRH2 P25021 3/20 0.37
DRD3 P35462 3/20 0.37
HRH1 P35367 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HTR7 P34969 6/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HPGD P15428 1/20 0.34
NTSR1 P30989 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL28087491 0.75 KCNH2 (0.43) DRD2DRD4HRH2DRD3HRH1
SCHEMBL28087523 0.72 GAA (0.32) HPGD
SCHEMBL27978707 0.70 ADRB3 (0.50)
SCHEMBL28087470 0.70 ALDH1A1 (0.31) HTR2C
SCHEMBL27978495 0.64 KMT2A (0.41)
SCHEMBL28087537 0.62 DRD2 (0.33) DRD2
SCHEMBL12988817 0.59 DRD2 (0.58) DRD2DRD3HPGD
SCHEMBL27978750 0.59 SLC6A2 (0.32)
SCHEMBL9026939 0.57 DRD2 (0.55) DRD2DRD3HPGD
SCHEMBL3165674 0.56 DRD2 (0.72) DRD2DRD4HRH2DRD3HRH1

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-104011054-B As the thieno of potassium channel inhibitors and Furanopyrimidines class and pyridines 森申有限公司 2016-08-24 CN disclosed