SCHEMBL1709351

SCHEMBL1709351

CCOC(=O)C[C@@H]1CC[C@@H](NC2CCC(F)(F)CC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.42
MAOB P27338 2/20 0.42
CCRL2 O00421 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL1709353 0.90 MAOB (0.44) KDM1AMAOBCCRL2
SCHEMBL1709431 0.88 MAOB (0.45) KDM1AMAOBCCRL2
SCHEMBL1709352 0.88 MAOB (0.45) KDM1AMAOBCCRL2
SCHEMBL10032966 0.79 MAOA (0.35) KDM1AMAOBCCRL2
SCHEMBL10188552 0.73 DGAT1 (0.46) CCRL2
SCHEMBL10033132 0.70 GPBAR1 (0.43) KDM1AMAOBRCOR1
SCHEMBL6918804 0.69 KDM4E (0.45) KDM1AMAOB
SCHEMBL10032982 0.68 PSEN1 (0.38) CCRL2
SCHEMBL10032825 0.68 KDM1A (0.38) KDM1AMAOBRCOR1
SCHEMBL10033117 0.67 KDM1A (0.44) KDM1AMAOB

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