SCHEMBL5202181

SCHEMBL5202181

CCOc1ccccc1C(=O)N1CCC(c2cn(Cc3cccc(OC)c3)c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.49
DRD2 P14416 1/20 0.49
HTR6 P50406 1/20 0.49
HTR2A P28223 7/20 0.48
HTR2C P28335 7/20 0.48
HTR2B P41595 7/20 0.48
MAPT P10636 1/20 0.45
SLC2A1 P11166 1/20 0.44
HSD11B1 P28845 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
SCHEMBL5202293 0.84 THRB (0.49) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL4852934 0.82 HRH2 (0.50) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL5205779 0.81 HRH2 (0.49) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL5203370 0.81 HRH2 (0.47) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL4858756 0.80 SLC2A1 (0.49) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL5204484 0.80 SLC2A1 (0.47) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL5203382 0.80 MAPT (0.46) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL4859761 0.80 HRH2 (0.48) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL4857604 0.79 MAPT (0.53) HRH2HTR2AHTR2CHTR2BMAPT
SCHEMBL5204486 0.79 MAPT (0.54) HRH2HTR2AHTR2CHTR2BMAPT

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