SCHEMBL15423871

SCHEMBL15423871

C[n+]1ccn(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)CCCCC4)cc3)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HSD11B1 P28845 2/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15423872 0.85 SLC22A2 (0.39) SLC6A4LMNATHRBHPGDL3MBTL1
SCHEMBL16000694 0.85 SLC22A2 (0.39) SLC6A4LMNATHRBHPGDL3MBTL1
SCHEMBL16000716 0.81 SLC22A2 (0.47) SLC6A4LMNATHRBHPGDL3MBTL1
SCHEMBL16000683 0.81 SLC22A2 (0.47) SLC6A4LMNATHRBHPGDL3MBTL1
SCHEMBL18533959 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HSD11B1NR1I2
SCHEMBL10028646 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HSD11B1NR1I2
SCHEMBL13539978 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HSD11B1NR1I2
SCHEMBL10031189 0.78 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HSD11B1NR1I2
SCHEMBL8640292 0.78 ESR1 (0.46) SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL27270395 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HSD11B1NR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923152-B2 Organic ionic functional materials MERCK PATENT GMBH (DE) 2018-03-20 US disclosed
US-20140014885-A1 ORGANIC IONIC FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2014-01-16 US disclosed