SCHEMBL1709511

SCHEMBL1709511

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
HTR2C P28335 1/20 0.34
MTOR P42345 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 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
SCHEMBL1709365 0.95 MAOA (0.36) MAOAKDM1AMAOBHTR2CMTOR
SCHEMBL1709455 0.92 MAOA (0.35) MAOAKDM1AMAOBHTR2CMTOR
SCHEMBL1709475 0.91 SLC6A2 (0.45) MAOAKDM1AMAOBSLC6A2SLC6A4
SCHEMBL1709494 0.83 HTR2C (0.35) MAOAKDM1AMAOBHTR2CSLC6A4
SCHEMBL1709370 0.83 GPBAR1 (0.37) MAOAKDM1AMAOBMTORNPSR1
SCHEMBL1709403 0.83 HTR2C (0.34) MAOAKDM1AMAOBHTR2CKMT2A
SCHEMBL1709443 0.83 HTR2C (0.34) MAOAKDM1AMAOBHTR2CKMT2A
SCHEMBL1709404 0.83 HTR2C (0.34) MAOAKDM1AMAOBHTR2CKMT2A
SCHEMBL6918642 0.82 MAOA (0.39) MAOAKDM1AMAOBHTR2CMTOR
SCHEMBL1709402 0.82 HTR2C (0.34) MAOAKDM1AMAOBHTR2CKMT2A

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