SCHEMBL5206978

SCHEMBL5206978

O=C(c1c(F)cccc1Cl)N1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.49
SLC5A2 P31639 3/20 0.49
SLC2A1 P11166 1/20 0.49
HRH2 P25021 4/20 0.42
ALDH1A1 P00352 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
CCR3 P51677 2/20 0.41
PDE2A O00408 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGLL Q99685 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL5204299 0.88 SLC5A1 (0.47) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL5203686 0.80 SLC5A1 (0.49) SLC5A1SLC5A2SLC2A1HRH2HTR2A
SCHEMBL4860077 0.78 SLC2A1 (0.45) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL5204484 0.77 SLC2A1 (0.47) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL4853409 0.76 SLC2A1 (0.50) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL5201634 0.75 SLC2A1 (0.47) SLC2A1HRH2ALDH1A1HTR2AHTR2C
SCHEMBL5205062 0.75 SMO (0.46) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL5201977 0.75 SLC2A1 (0.46) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL5202930 0.74 SLC2A1 (0.59) SLC5A1SLC5A2SLC2A1HRH2ALDH1A1
SCHEMBL4860552 0.74 HRH2 (0.46) SLC2A1HRH2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed