SCHEMBL21728302

SCHEMBL21728302

C1=CC(c2nc(-c3ccc(C4(c5ccc(C6=CCCC=N6)cc5)CCCCC4)cc3)nc(-c3ccc4ccccc4c3)n2)=CCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL21728181 0.91 HSD11B1 (0.31)
SCHEMBL21728411 0.90 NR1I2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL21728182 0.88 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL21728184 0.86
SCHEMBL21728194 0.85 PGR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL21728131 0.85 NR1I2 (0.30)
SCHEMBL21728485 0.79 L3MBTL1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL21728186 0.79 PGR (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL21728308 0.78 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL21728119 0.78 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3

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