SCHEMBL11474264

SCHEMBL11474264

CC(CCO)COc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)c2c1NC(=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
MAPT P10636 8/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTR7 P34969 2/20 0.46
GAA P10253 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ABCB1 P08183 3/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL11486208 0.90 MAPT (0.50) SCN1ASCN5ASCN9AMAPTMEN1
SCHEMBL11476354 0.86 TSHR (0.54) SCN1ASCN5ASCN9AMAPTMEN1
Hydrochloric Acid SCHEMBL11079822 0.85 HTR7 (0.51) SCN1ASCN5ASCN9AMAPTMEN1
Hydrochloric Acid SCHEMBL11482853 0.85 TSHR (0.53) SCN1ASCN5ASCN9AMAPTMEN1
SCHEMBL11474584 0.84 SCN1A (0.49) SCN1ASCN5ASCN9AMAPTMEN1
Hydrochloric Acid SCHEMBL11079825 0.84 SCN1A (0.50) SCN1ASCN5ASCN9AMAPTMEN1
SCHEMBL11490809 0.81 MEN1 (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL11474394 0.81 KCNH2 (0.58) MAPTKMT2ALMNAHTR7MAPK1
SCHEMBL11482582 0.81 MEN1 (0.58) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL11475439 0.79 MAPT (0.56) SCN1ASCN5ASCN9AMAPTMEN1

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
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 US disclosed