SCHEMBL5203382

SCHEMBL5203382

COc1cccc(Cn2cc(C3CCN(C(=O)c4ccc(Br)c(C)c4)C3)c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HSD11B1 P28845 1/20 0.45
HRH2 P25021 5/20 0.44
SLC2A1 P11166 1/20 0.44
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42

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 0.90 THRB (0.49) MAPTHSD11B1HRH2SLC2A1HTR2A
SCHEMBL5204484 0.84 SLC2A1 (0.47) MAPTHSD11B1HRH2SLC2A1HTR2A
SCHEMBL4852934 0.82 HRH2 (0.50) MAPTHRH2SLC2A1HTR2AHTR2C
SCHEMBL5205779 0.80 HRH2 (0.49) MAPTHRH2SLC2A1HTR2AHTR2C
SCHEMBL5203370 0.80 HRH2 (0.47) MAPTHRH2SLC2A1HTR2AHTR2C
SCHEMBL5202181 0.80 HRH2 (0.49) MAPTHSD11B1HRH2SLC2A1HTR2A
SCHEMBL4857565 0.80 HDAC3 (0.46) HSD11B1HRH2SLC2A1HTR2AHTR2C
SCHEMBL4859761 0.79 HRH2 (0.48) MAPTHRH2SLC2A1HTR2AHTR2C
SCHEMBL5204486 0.78 MAPT (0.54) MAPTHRH2SLC2A1HTR2AHTR2C
SCHEMBL4857604 0.78 MAPT (0.53) MAPTHRH2SLC2A1HTR2AHTR2C

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