SCHEMBL10956705

SCHEMBL10956705

CCCN(CCC)C(=O)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
APP P05067 1/20 0.53
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
EPHX2 P34913 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LDHA P00338 1/20 0.49
DUSP3 P51452 1/20 0.48

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
SCHEMBL11003187 0.88 APP (0.55) APPLMNAHTTNPC1EPHX2
SCHEMBL14229047 0.81 APP (0.50) APPLMNAHTTNPC1L3MBTL1
SCHEMBL10877563 0.81 LMNA (0.56) LMNAHTTNPC1EPHX2L3MBTL1
SCHEMBL10948188 0.81 LMNA (0.56) LMNAHTTNPC1EPHX2GAA
SCHEMBL27003568 0.80 EPHX2 (0.46) EPHX2GAAL3MBTL1KMT2ANPSR1
SCHEMBL10778354 0.80 POLB (0.66) POLBAPEX1TDP1LMNAHTT
SCHEMBL6993505 0.79 L3MBTL1 (0.58) APPL3MBTL1KMT2AALDH1A1
SCHEMBL1515840 0.78 LMNA (0.54) LMNAHTTNPC1EPHX2GAA
SCHEMBL14200735 0.78 APP (0.47) APPLMNAHTTNPC1L3MBTL1
SCHEMBL26177290 0.78 CYP51A1 (0.67) LMNAHTTL3MBTL1MAPTALDH1A1

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-4529604-A N,N-Di-(n-Propyl)dopamine derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-07-16 US disclosed