SCHEMBL28933663

SCHEMBL28933663

O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.75
DRD2 P14416 17/20 0.75
DRD4 P21917 14/20 0.75
ADRA1A P35348 2/20 0.67
HTR1A P08908 3/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1B P35368 1/20 0.65
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
HTR2A P28223 3/20 0.62
HTR2C P28335 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
DRD1 P21728 1/20 0.61
HTR2B P41595 1/20 0.61

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
SCHEMBL28933668 0.86 DRD2 (0.75) DRD3DRD2DRD4ADRA1AHTR1A
SCHEMBL2318865 0.84 DRD2 (0.69) DRD3DRD2DRD4ADRA1AHTR1A
SCHEMBL29462329 0.84 DRD3 (0.77) DRD3DRD2DRD4ADRA1A
SCHEMBL2315158 0.84 DRD3 (0.77) DRD3DRD2DRD4ADRA1A
SCHEMBL30080708 0.82 DRD3 (0.68) DRD3DRD2DRD4ADRA1AHTR1A
SCHEMBL28933667 0.82 DRD3 (0.68) DRD3DRD2DRD4ADRA1AHTR1A
Hydrochloric Acid SCHEMBL8406922 0.82 DRD3 (0.73) DRD3DRD2DRD4ADRA1AHTR1A
Hydrochloric Acid SCHEMBL7452109 0.82 DRD3 (0.70) DRD3DRD2DRD4ADRA1AHTR1A
SCHEMBL30298993 0.80 DRD3 (1.00) DRD3DRD2DRD4ADRA1AHTR1A
SCHEMBL7344083 0.80 DRD3 (1.00) DRD3DRD2DRD4ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN claimed
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed