SCHEMBL29675288

SCHEMBL29675288

N=NC(=NN)Oc1cc(C=O)ccc1OCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 16/20 0.44
▸ DRD3 P35462 8/20 0.44
▸ DRD4 P21917 6/20 0.44
▸ HTR2A P28223 12/20 0.44
▸ HTR1A P08908 11/20 0.44
▸ HTR7 P34969 2/20 0.42
▸ DRD1 P21728 2/20 0.42

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
SCHEMBL28735817 1.00 DRD2 (0.44) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL28735819 0.86 DRD2 (0.51) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL28616498 0.83 HTR1A (0.58) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL28612645 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL29675212 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL28614770 0.69 DRD2 (0.54) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL29675216 0.69 DRD2 (0.54) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL28910494 0.66 ALDH1A1 (0.41) —
SCHEMBL1193606 0.65 DRD2 (0.67) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL2782093 0.65 DRD2 (0.71) DRD2DRD3DRD4HTR2AHTR1A

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-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN disclosed
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