SCHEMBL10991908

SCHEMBL10991908

Cc1ccc(NC(=O)CN2CCN(CC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
LMNA P02545 4/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNA5 P22460 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AIMP2 Q13155 1/20 0.46
MEN1 O00255 2/20 0.45
KCNT1 Q5JUK3 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 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
SCHEMBL10986888 0.93 POLB (0.55) RAB9ALMNAPOLBNPC1HTT
SCHEMBL10995111 0.91 LMNA (0.50) RAB9ALMNAPOLBGAAHTT
SCHEMBL10986641 0.91 POLB (0.54) RAB9ALMNAPOLBL3MBTL1GAA
SCHEMBL10991244 0.91 POLB (0.54) RAB9ALMNAPOLBL3MBTL1KCNA5
SCHEMBL10989692 0.91 ALDH1A1 (0.56) RAB9APOLBNPC1L3MBTL1KCNA5
SCHEMBL10995044 0.91 ALDH1A1 (0.48) RAB9ALMNAPOLBKCNA5GAA
SCHEMBL11000010 0.91 POLB (0.52) RAB9ALMNAPOLBNPC1L3MBTL1
SCHEMBL10996385 0.90 POLB (0.51) RAB9ALMNAPOLBNPC1L3MBTL1
SCHEMBL10994793 0.89 POLB (0.50) RAB9ALMNAPOLBNPC1L3MBTL1
SCHEMBL10994260 0.89 POLB (0.50) RAB9ALMNAPOLBNPC1L3MBTL1

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
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US claimed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed