SCHEMBL30964248

SCHEMBL30964248

COc1ccc(C(=O)NCCCCC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.68
▸ DRD4 P21917 12/20 0.68
▸ DRD3 P35462 12/20 0.68
▸ HTR1A P08908 3/20 0.59
▸ HTR2A P28223 2/20 0.59
▸ ADRA1A P35348 2/20 0.56
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ ADRA1D P25100 1/20 0.54
▸ ADRA1B P35368 1/20 0.54
▸ POLB P06746 1/20 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
SCHEMBL30964242 0.94 DRD2 (0.62) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL14495145 0.80 DRD2 (0.75) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29799578 0.79 DRD2 (0.73) DRD2DRD4DRD3SIGMAR1
SCHEMBL30964237 0.79 MAPT (0.59) DRD2DRD4DRD3ADRA1APOLB
SCHEMBL7052714 0.78 DRD2 (0.70) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL14495136 0.76 DRD2 (0.73) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL14494896 0.76 DRD2 (0.63) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL30964278 0.76 CXCR3 (0.55) DRD2DRD3HTR1AHTR2AMEN1
SCHEMBL14494899 0.74 DRD2 (0.59) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL30964241 0.74 HTR1A (0.51) DRD2DRD3HTR1AHTR2AMEN1

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
Send feedback