SCHEMBL4006943

SCHEMBL4006943

CC(CCN)CC1(c2ccc(OCc3ccccc3)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
MAOB P27338 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
MMP2 P08253 2/20 0.41
MMP13 P45452 1/20 0.41
BCHE P06276 1/20 0.40
RORC P51449 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40
LTA4H P09960 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3996952 0.89 MAOB (0.47) SLC6A2SLC6A3SLC6A4MAOBMAPT
SCHEMBL872275 0.84 SLC6A4 (0.62) SLC6A2SLC6A3SLC6A4MAPT
SCHEMBL878028 0.81 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4LTA4HLMNA
SCHEMBL6210983 0.81 DPP4 (0.57) SLC6A2SLC6A3SLC6A4MAOBGAA
SCHEMBL15065610 0.78 SLC6A4 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL6210261 0.78 DPP4 (0.62) SLC6A2SLC6A3SLC6A4MAOBGAA
SCHEMBL6502368 0.77 SLC6A3 (0.60) SLC6A2SLC6A3SLC6A4MAOBGAA
SCHEMBL8606048 0.75 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4MAPTLMNA
SCHEMBL871578 0.75 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4
SCHEMBL871941 0.75 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4MAPTLMNA

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
EP-2066329-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES Reviva Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
WO-2008034142-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed