SCHEMBL1709363

SCHEMBL1709363

C/C=C(\O)C[C@@H]1CC[C@@H](N(Cc2ccccc2)CC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.45
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 5/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
GPR88 Q9GZN0 1/20 0.35
IDO1 P14902 1/20 0.35
MAOA P21397 2/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33

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
SCHEMBL1709475 0.90 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL13836640 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL1709511 0.80 MAOA (0.38) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL2316984 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL1709365 0.78 MAOA (0.36) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL2317133 0.76 PSEN1 (0.42) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL2318915 0.76 PSEN1 (0.47) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL1709455 0.76 MAOA (0.35) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL6918642 0.76 MAOA (0.39) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL6917403 0.75 PSEN1 (0.46) SLC6A2SLC6A4SLC6A3PSEN1PSEN2

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed