SCHEMBL11486208

SCHEMBL11486208

O=C1CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)ccc(OCCO)c2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
GAA P10253 3/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ABCB1 P08183 4/20 0.47
KCNH2 Q12809 1/20 0.47
HTR7 P34969 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
ADRA2A P08913 1/20 0.45

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
SCHEMBL11474394 0.91 KCNH2 (0.58) MAPTKMT2AKCNH2HTR7MAPK1
SCHEMBL11474264 0.90 SCN1A (0.47) MAPTKMT2AMEN1TDP1SCN1A
SCHEMBL11490809 0.90 MEN1 (0.55) MAPTKMT2AMEN1TDP1TP53
SCHEMBL11476354 0.89 TSHR (0.54) MAPTKMT2AMEN1TDP1SCN1A
Hydrochloric Acid SCHEMBL11482853 0.88 TSHR (0.53) MAPTKMT2AMEN1TDP1SCN1A
SCHEMBL11486191 0.88 ABCB1 (0.53) SCN1ASCN5ASCN9AABCB1KCNH2
SCHEMBL11474584 0.88 SCN1A (0.49) MAPTKMT2AMEN1TDP1SCN1A
SCHEMBL11475983 0.87 MEN1 (0.47) KMT2AMEN1GAAABCB1KCNH2
Hydrochloric Acid SCHEMBL11079822 0.87 HTR7 (0.51) MAPTKMT2AMEN1TDP1SCN1A
SCHEMBL11490020 0.87 ABCB1 (0.55) SCN1ASCN5ASCN9AABCB1KCNH2

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