SCHEMBL28097025

SCHEMBL28097025

CCOC(=O)CCCNC(CC(C)C)C1(c2ccc(OC)c(OC)c2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.59
SLC6A4 P31645 19/20 0.59
SLC6A3 Q01959 19/20 0.59
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15422161 0.83 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL15422763 0.82 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL15422709 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL12235313 0.82 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL15422541 0.81 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL15422690 0.81 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3
SCHEMBL15422561 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL15422529 0.79 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL872344 0.79 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3
SCHEMBL872165 0.79 SLC6A2 (0.72) 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
CN-104039753-B The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method 雷维瓦药品公司 2016-09-14 CN disclosed