SCHEMBL30964241

SCHEMBL30964241

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ MAPK1 P28482 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DRD2 P14416 4/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RBP4 P02753 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43

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 0.75 DRD2 (0.62) HTR1AMAPK1MEN1KMT2ADRD2
SCHEMBL30964248 0.74 DRD2 (0.68) HTR1AMEN1KMT2ADRD2HTR2A
SCHEMBL3799756 0.73 OPRK1 (0.58) HTR7DRD2HTR2ADRD3ADAMTS5
SCHEMBL30964278 0.72 CXCR3 (0.55) HTR1AMAPK1MEN1KMT2ADRD2
SCHEMBL28616498 0.71 HTR1A (0.58) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL30964256 0.71 HTR1A (0.56) HTR1AHTR7MAPK1MEN1KMT2A
SCHEMBL28972664 0.70 ADAMTS5 (0.61) HTR7MEN1KMT2ADRD2HTR2A
SCHEMBL9405381 0.69 MEN1 (0.48) HTR7MAPK1MEN1KMT2ATHRB
SCHEMBL29675212 0.69 DRD2 (0.54) HTR1AHTR7MEN1KMT2ADRD2
SCHEMBL28612645 0.69 DRD2 (0.54) HTR1AHTR7MEN1KMT2ADRD2

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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