SCHEMBL3824334

SCHEMBL3824334

COc1ccc(CCN2CCC(CCNc3ccc(C#N)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCNc3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
SLC6A4 P31645 3/20 0.45
ABCB1 P08183 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
GAA P10253 1/20 0.42
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1333775 0.95 HTR1A (0.48) HTR1ASLC6A4ABCB1ACHEBACE1
SCHEMBL1332119 0.93 HTR1A (0.51) HTR1ASLC6A4ABCB1L3MBTL1ACHE
SCHEMBL1332112 0.84 HTR1A (0.52) HTR1ASLC6A4ABCB1ACHEBACE1
SCHEMBL2574419 0.84 HTR1A (0.52) HTR1ASLC6A4ABCB1ACHEBACE1
SCHEMBL1333914 0.84 HTR1A (0.59) HTR1ASLC6A4ABCB1GAAMAPT
SCHEMBL1332009 0.84 HTR1A (0.52) HTR1ASLC6A4ABCB1
SCHEMBL1334374 0.83 HTR1A (0.49) HTR1ASLC6A4ABCB1ACHEBACE1
SCHEMBL2573352 0.83 HTR1A (0.49) HTR1ASLC6A4ABCB1ACHEBACE1
SCHEMBL1334517 0.83 ABCB1 (0.60) HTR1ASLC6A4ABCB1ACHEBACE1
SCHEMBL1332760 0.82 HTR1A (0.50) HTR1ASLC6A4ABCB1ACHEBACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978959-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-09-02 EP disclosed
EP-1978959-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-15 EP disclosed
WO-2008096189-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2008-08-14 WO disclosed