SCHEMBL30080754

SCHEMBL30080754

O=C1NC(=O)c2c(CCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.60
DRD3 P35462 11/20 0.60
DRD4 P21917 4/20 0.60
DRD1 P21728 4/20 0.54
HTR2A P28223 7/20 0.53
HTR1A P08908 6/20 0.53
HTR7 P34969 5/20 0.53
HTR6 P50406 5/20 0.53

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
SCHEMBL7983420 0.81 HTR1A (0.55) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL8828516 0.81 DRD2 (0.51) DRD2DRD3HTR2AHTR1AHTR7
SCHEMBL3174237 0.80 CHEK1 (0.47) DRD2DRD3HTR2A
SCHEMBL8557009 0.80 CHEK1 (0.47) HTR2A
SCHEMBL7986525 0.79 CCR3 (0.56)
SCHEMBL8554507 0.79 SIGMAR1 (0.47) HTR2A
SCHEMBL8667745 0.79 WEE1 (0.40) DRD2DRD3HTR2AHTR1AHTR7
SCHEMBL7986154 0.78 HTR1A (0.53) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL4910767 0.78 CHEK1 (0.50) DRD2HTR1AHTR6
SCHEMBL8558051 0.77 CHEK1 (0.49) DRD2HTR1AHTR6

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-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