SCHEMBL5206906

SCHEMBL5206906

O=C(C1=CC2=CNON2C=C1)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
ALDH1A1 P00352 6/20 0.43
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH2 P25021 4/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
SLC5A1 P13866 1/20 0.37

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
SCHEMBL5203143 0.85 CNR2 (0.43) SLC2A1LMNANPSR1HTTHTR2A
SCHEMBL4862806 0.75 SLC2A1 (0.31) SLC2A1
SCHEMBL4859827 0.75 SLC2A1 (0.61) SLC2A1ALDH1A1LMNATDP1NPSR1
SCHEMBL5206911 0.74 SLC2A1 (0.57) SLC2A1ALDH1A1LMNATDP1NPSR1
SCHEMBL14181452 0.73 SLC2A1 (0.57) SLC2A1ALDH1A1LMNATDP1NPSR1
SCHEMBL5202930 0.73 SLC2A1 (0.59) SLC2A1ALDH1A1LMNATDP1NPSR1
SCHEMBL4859525 0.71 SLC2A1 (0.63) SLC2A1ALDH1A1LMNATDP1NPSR1
SCHEMBL5202357 0.71 SLC2A1 (0.55) SLC2A1ALDH1A1LMNATDP1NPSR1
SCHEMBL4853409 0.71 SLC2A1 (0.50) SLC2A1ALDH1A1LMNANPSR1HTT
SCHEMBL5206324 0.70 SLC2A1 (0.50) SLC2A1ALDH1A1LMNATDP1NPSR1

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