SCHEMBL5204484

SCHEMBL5204484

COc1cccc(Cn2cc(C3CCN(C(=O)c4c(F)ccc(C)c4F)C3)c3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
MAPT P10636 1/20 0.44
HRH2 P25021 4/20 0.44
HSD11B1 P28845 2/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL5202293 0.85 THRB (0.49) SLC2A1MAPTHRH2HSD11B1HTR2A
SCHEMBL5203382 0.84 MAPT (0.46) SLC2A1MAPTHRH2HSD11B1HTR2A
SCHEMBL4852934 0.82 HRH2 (0.50) SLC2A1MAPTHRH2HTR2AHTR2C
SCHEMBL5204299 0.81 SLC5A1 (0.47) SLC2A1HRH2HSD11B1HTR2AHTR2C
SCHEMBL5203370 0.80 HRH2 (0.47) SLC2A1MAPTHRH2HTR2AHTR2C
SCHEMBL5205779 0.80 HRH2 (0.49) SLC2A1MAPTHRH2HTR2AHTR2C
SCHEMBL5202181 0.80 HRH2 (0.49) SLC2A1MAPTHRH2HSD11B1HTR2A
SCHEMBL5204486 0.80 MAPT (0.54) SLC2A1MAPTHRH2HTR2AHTR2C
SCHEMBL4859761 0.79 HRH2 (0.48) SLC2A1MAPTHRH2HTR2AHTR2C
SCHEMBL5202929 0.79 KMT2A (0.51) ALDH1A1LMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501828-A 2007-02-01 JP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP claimed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed