SCHEMBL4694780

SCHEMBL4694780

N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
F2 P00734 2/20 0.44
SLC6A4 P31645 1/20 0.43
SLC15A1 P46059 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 3/20 0.39
MMP2 P08253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CNR1 P21554 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL4689485 0.89 CSNK1E (0.50) CSNK1EF2SLC6A4SLC15A1EPHX1
SCHEMBL4692605 0.85 HTT (0.50) CSNK1EF2SLC6A4SLC15A1EPHX1
SCHEMBL4694678 0.85 MAPT (0.45) CSNK1EF2SLC15A1MAPTMEN1
SCHEMBL4692213 0.82 CSNK1E (0.45) CSNK1EF2SLC15A1EPHX1MAPT
SCHEMBL4695907 0.82 F2 (0.47) CSNK1EF2SLC6A4MAPTMEN1
SCHEMBL6894816 0.81 BCHE (0.53) SLC6A4BCHELMNAGAA
SCHEMBL3351836 0.81 BCHE (0.53) SLC6A4BCHELMNAGAA
SCHEMBL23093131 0.81 SLC6A4 (0.52) CSNK1EF2SLC6A4SLC15A1EPHX1
SCHEMBL23092415 0.81 SLC6A4 (0.52) CSNK1EF2SLC6A4SLC15A1EPHX1
SCHEMBL23092416 0.81 SLC6A4 (0.52) CSNK1EF2SLC6A4SLC15A1EPHX1

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
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed