SCHEMBL21091908

SCHEMBL21091908

O[C@H]1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LIPG Q9Y5X9 1/20 0.40
RXRB P28702 4/20 0.39
RXRA P19793 3/20 0.39
RXRG P48443 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
KDM1A O60341 2/20 0.38
PTPN1 P18031 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
SCHEMBL21091907 1.00 KMT2A (0.51) KMT2AMAOAMAOBHTR1ASLC6A2
SCHEMBL11726141 0.82 KMT2A (0.47) KMT2AMAOAMAOBHTR1ASLC6A2
SCHEMBL11668594 0.81 KDM1A (0.45) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL22681383 0.81 KDM1A (0.45) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL11668598 0.81 KDM1A (0.45) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL22657347 0.81 KDM1A (0.45) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL22657349 0.81 KDM1A (0.45) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL11668589 0.81 KDM1A (0.45) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL10892232 0.80 KMT2A (0.45) KMT2AMAOAMAOBLIPGRXRB
SCHEMBL1746528 0.78 MAOB (0.58) KMT2AMAOAMAOBHTR1ASLC6A2

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-2019112913-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-06-13 WO disclosed