SCHEMBL16189140

SCHEMBL16189140

CC(c1ccccc1)[C@@H](N)CNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
MAPT P10636 3/20 0.42
ANPEP P15144 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
APAF1 O14727 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL14511191 0.82 MAPT (0.46) AOC3MAPTADRB2ADRB1ADRB3
SCHEMBL13257889 0.78 MAPT (0.48) AOC3MAPTFNTAFNTBTAAR1
SCHEMBL13258280 0.78 MAPT (0.48) AOC3MAPTFNTAFNTBTAAR1
SCHEMBL1724427 0.78 MAPT (0.48) AOC3MAPTFNTAFNTBTAAR1
SCHEMBL13884895 0.78 MAPT (0.42) AOC3MAPTADRB2ADRB1ADRB3
SCHEMBL4090035 0.78 MAPT (0.42) AOC3MAPTADRB2ADRB1ADRB3
SCHEMBL18539226 0.76 GBA1 (0.50) MAPTFNTAFNTBALDH1A1HTT
Hydrochloric Acid SCHEMBL12006787 0.76 MAPT (0.47) AOC3MAPTFNTAFNTBTAAR1
Hydrochloric Acid SCHEMBL6449887 0.76 MAPT (0.47) AOC3MAPTFNTAFNTBTAAR1
SCHEMBL31262943 0.76 TAAR1 (0.61) AOC3MAPTADRB2ADRB1ADRB3

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
WO-2014171541-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND APPLICATION THEREFOR 東ソー株式会社 (JP) 2014-10-23 WO disclosed