SCHEMBL11697232

SCHEMBL11697232

Cc1ccc(N(CCO)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL11697901 0.92 ALDH1A1 (0.44) KDM4EL3MBTL1CYP2C19MTNR1AMTNR1B
SCHEMBL453394 0.87 KDM4E (0.55) KDM4EL3MBTL1CYP2C19MTNR1AMTNR1B
SCHEMBL7923131 0.85 KDM4E (0.53) KDM4EL3MBTL1CYP2C19MTNR1AMTNR1B
SCHEMBL17122222 0.84 CYP2C19 (0.41) KDM4EL3MBTL1CYP2C19MEN1NPC1
SCHEMBL18538525 0.82 L3MBTL1 (0.43) KDM4EL3MBTL1MEN1NPC1RAB9A
SCHEMBL28958670 0.80 CYP3A4 (0.54) KDM4EL3MBTL1CYP2C19MTNR1AMTNR1B
SCHEMBL25785245 0.80 CYP2C19 (0.46) KDM4EL3MBTL1CYP2C19MTNR1AMTNR1B
SCHEMBL21969930 0.79 KDM4E (0.42) KDM4EL3MBTL1MTNR1AMTNR1BMEN1
SCHEMBL12374318 0.79 CYP2C19 (0.52) CYP2C19MTNR1AMTNR1BMEN1NPC1
SCHEMBL14962874 0.79 CYP2C19 (0.52) CYP2C19MTNR1AMTNR1BMEN1NPC1

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-4063887-A HYDROXYAMINE COMPOUND CELANESE CORPORATION (US) 1977-12-20 US disclosed