SCHEMBL30964278

SCHEMBL30964278

COc1ccc(CCNC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPC1 O15118 2/20 0.53
▸ DRD2 P14416 3/20 0.52
▸ DRD3 P35462 3/20 0.52
▸ PDGFRB P09619 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ RBP4 P02753 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ FAAH O00519 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ HTR2A P28223 1/20 0.49

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
SCHEMBL30964289 0.84 DRD2 (0.55) DRD2DRD3
SCHEMBL30964256 0.81 HTR1A (0.56) MAPK1NPC1DRD2DRD3RBP4
SCHEMBL5462633 0.80 ALDH1A1 (0.62) NPC1ALDH1A1SMN1; SMN2GFERMEN1
SCHEMBL30964242 0.77 DRD2 (0.62) MAPK1DRD2DRD3SMN1; SMN2GFER
SCHEMBL30964248 0.76 DRD2 (0.68) DRD2DRD3MEN1KMT2AHTR1A
Mefeclorazine SCHEMBL2110367 0.73 ADRA1D (0.73) MAPK1DRD2DRD3ALDH1A1KMT2A
SCHEMBL14420855 0.73 MAPT (0.69) MAPK1PDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL6131869 0.73 ADRA1D (0.60) DRD2DRD3RBP4MEN1KMT2A
SCHEMBL30964241 0.72 HTR1A (0.51) TSHRMAPK1DRD2DRD3RBP4
SCHEMBL30964267 0.72 TSHR (0.57) TSHRMAPK1NPC1DRD2DRD3

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-118121699-A TPK agonists and methods of using the same for treating neurodegenerative diseases 上海日馨医药科技股份有限公司 2024-06-04 — — CN disclosed
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