SCHEMBL5205779

SCHEMBL5205779

COc1cccc(Cn2cc(C3CCN(C(=O)CCc4ccccc4)C3)c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.49
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
HTR2B P41595 5/20 0.47
SLC2A1 P11166 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 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
SCHEMBL4852934 0.90 HRH2 (0.50) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL5203370 0.88 HRH2 (0.47) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL4859827 0.87 SLC2A1 (0.61) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL5204486 0.86 MAPT (0.54) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL4859761 0.85 HRH2 (0.48) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL4857604 0.84 MAPT (0.53) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL5202293 0.84 THRB (0.49) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL4852959 0.83 SMN1; SMN2 (0.53) HRH2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL5202181 0.81 HRH2 (0.49) HRH2HTR2AHTR2CHTR2BSLC2A1
SCHEMBL5204484 0.80 SLC2A1 (0.47) HRH2HTR2AHTR2CHTR2BSLC2A1

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