SCHEMBL30964256

SCHEMBL30964256

COc1ccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.56
▸ HTR2A P28223 3/20 0.56
▸ HTR1D P28221 3/20 0.56
▸ HTR1B P28222 3/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ HTR6 P50406 2/20 0.56
▸ RBP4 P02753 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ TRPV1 Q8NER1 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ DRD3 P35462 2/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ FAAH O00519 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL30964267 0.88 TSHR (0.57) HTR2AGAAMAPTRAB9ADRD3
SCHEMBL30964285 0.84 TRPV1 (0.52) HTR2AMAPTTRPV1RAB9ADRD3
SCHEMBL30964310 0.83 TRPV1 (0.51) HTR2AGAAMAPTTRPV1L3MBTL1
SCHEMBL30964278 0.81 CXCR3 (0.55) HTR1AHTR2ARBP4GAADRD3
SCHEMBL6716446 0.78 HTR1A (0.55) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL30964244 0.76 ALDH1A1 (0.61) GAAMAPTL3MBTL1MEN1HTT
SCHEMBL30964277 0.75 ALDH1A1 (0.59) GAAMAPTL3MBTL1MEN1HTT
SCHEMBL30964288 0.74 KMT2A (0.58) HTR1AHTR2AGAAMAPTDRD3
SCHEMBL6717734 0.74 HTR1A (0.56) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL30964242 0.74 DRD2 (0.62) HTR1AHTR2ADRD3DRD2MEN1

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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