SCHEMBL21728310

SCHEMBL21728310

C1=CC(c2ccc(-c3ccc(C4(c5ccc(-c6cc(-c7ccccc7)nc(C7=CCCC=C7)n6)cc5)CCCCC4)cc3)cc2)=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
PGR P06401 1/20 0.34
ALOX5AP P20292 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD11B1 P28845 3/20 0.33
HPGD P15428 3/20 0.33
NR1I2 O75469 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NTSR1 P30989 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT2 P31751 1/20 0.32
ADORA1 P30542 2/20 0.32
AGTR1 P30556 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21728309 0.99 MEN1 (0.34) SLC6A2SLC6A4SLC6A3PGRALOX5AP
SCHEMBL21728295 0.93 MEN1 (0.37) SLC6A2SLC6A4SLC6A3PGRALOX5AP
SCHEMBL21728214 0.92 MEN1 (0.38) PGRALOX5APMEN1KMT2AHPGD
SCHEMBL21728448 0.91 MEN1 (0.39) SLC6A2SLC6A4SLC6A3PGRMEN1
SCHEMBL21728308 0.91 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3PGRALOX5AP
SCHEMBL21728107 0.91 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3PGRALOX5AP
SCHEMBL21728119 0.91 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3PGRALOX5AP
SCHEMBL21728485 0.90 L3MBTL1 (0.36) SLC6A2SLC6A4SLC6A3ALOX5APMEN1
SCHEMBL21728297 0.88 PGR (0.39) SLC6A2SLC6A4SLC6A3PGRMEN1
SCHEMBL21728131 0.87 NR1I2 (0.30) HSD11B1NR1I2

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
EP-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed