SCHEMBL22010476

SCHEMBL22010476

COc1ccc(CN(C)Cc2c(C)oc3c(Oc4ccc(C#N)cc4)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
MAOB P27338 6/20 0.41
ACHE P22303 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SNCA P37840 1/20 0.40
MAOA P21397 2/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.37
PYCR1 P32322 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL21963860 0.86 KMT2A (0.44) ACHEMEN1KMT2AMAOAPYCR1
SCHEMBL24923420 0.82 SLC6A4 (0.46) SLC6A4MAOBACHECACNA1B
SCHEMBL21964003 0.80 MEN1 (0.39) MEN1KMT2APOLB
SCHEMBL21963920 0.79 KCNH2 (0.39) ACHEMEN1KMT2A
SCHEMBL21964039 0.78 KMT2A (0.57) MAOBACHEMEN1KMT2AMAOA
SCHEMBL22010475 0.78 KMT2A (0.48) ACHEMEN1KMT2APYCR1
SCHEMBL22010754 0.78 CACNA1B (0.43) SLC6A4CACNA1B
Hydrochloric Acid SCHEMBL28623346 0.77 CACNA1B (0.42) SLC6A4CACNA1B
Hydrochloric Acid SCHEMBL31033325 0.77 CACNA1B (0.42) SLC6A4CACNA1B
SCHEMBL21963797 0.76 LMNA (0.41) ACHEKMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed