SCHEMBL5202293

SCHEMBL5202293

COc1cccc(Cn2cc(C3CCN(C(=O)c4ccc(C)cc4)C3)c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH2 P25021 5/20 0.46
SLC2A1 P11166 1/20 0.46
HSD11B1 P28845 1/20 0.46
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
HTR2B P41595 5/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL5203382 0.90 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL4852934 0.85 HRH2 (0.50) MAPTALDH1A1LMNAKMT2AHRH2
SCHEMBL5204484 0.85 SLC2A1 (0.47) MAPTALDH1A1LMNAHRH2SLC2A1
SCHEMBL5203370 0.84 HRH2 (0.47) MAPTALDH1A1LMNAHRH2SLC2A1
SCHEMBL5205779 0.84 HRH2 (0.49) MAPTALDH1A1LMNAHRH2SLC2A1
SCHEMBL5202181 0.84 HRH2 (0.49) MAPTHRH2SLC2A1HSD11B1HTR2A
SCHEMBL4859761 0.82 HRH2 (0.48) MAPTMEN1KMT2AHRH2SLC2A1
SCHEMBL4857565 0.82 HDAC3 (0.46) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL5204486 0.82 MAPT (0.54) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL4857604 0.82 MAPT (0.53) MAPTALDH1A1HRH2SLC2A1HTR2A

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 7 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
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP disclosed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO disclosed