SCHEMBL11490809

SCHEMBL11490809

COc1ccc(N2CCN(CC(O)COc3ccc(OCCO)c4c3CCC(=O)N4)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 10/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCB1 P08183 2/20 0.53
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
KCNH2 Q12809 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL11481474 0.93 MEN1 (0.55) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL11474394 0.90 KCNH2 (0.58) KMT2AMAPTSMN1; SMN2KCNH2MAPK1
SCHEMBL11486208 0.90 MAPT (0.50) MEN1KMT2AMAPTTP53ABCB1
SCHEMBL11482563 0.88 MEN1 (0.53) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL11482582 0.88 MEN1 (0.58) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL11486191 0.85 ABCB1 (0.53) SMN1; SMN2ABCB1KCNH2
SCHEMBL11475983 0.84 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ABCB1KCNH2
SCHEMBL11490020 0.84 ABCB1 (0.55) ABCB1POLBKCNH2
Hydrochloric Acid SCHEMBL11095607 0.83 MEN1 (0.53) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL11474264 0.81 SCN1A (0.47) MEN1KMT2AMAPTTP53ABCB1

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