SCHEMBL10568697

SCHEMBL10568697

COc1ccccc1N1CCN(CCCOc2cccc3c2N(Cc2cccnc2)CCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
DRD3 P35462 5/20 0.52
DRD4 P21917 4/20 0.52
DRD1 P21728 2/20 0.52
HRH3 Q9Y5N1 1/20 0.51
HTR2A P28223 3/20 0.49
HTR7 P34969 3/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL10568708 0.81 POLB (0.52) DRD2DRD3DRD4DRD1HTR2A
Hydrochloric Acid SCHEMBL10568635 0.81 POLB (0.51) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL8648856 0.77 ADRA1D (0.64) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL11277272 0.75 HTR2A (0.67) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL11808685 0.75 HTR2A (0.67) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL9121058 0.72 HTR2A (0.59) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL9119424 0.69 HTR1A (0.59) DRD2DRD3DRD4DRD1HTR2A
Dimetholizine SCHEMBL2110772 0.69 DRD2 (0.76) DRD2DRD3HTR2AHTR7HTR1A
SCHEMBL11827962 0.69 DRD3 (0.70) DRD2DRD3DRD1HRH3HTR2A
SCHEMBL11274506 0.69 SLC6A2 (0.72) DRD2DRD3DRD4ADRA1A

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-4845099-A ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed