SCHEMBL6238611

SCHEMBL6238611

COc1ccc(O)cc1N1CCN(CC(O)CN2C(=O)CCCC2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.51
HTR7 P34969 9/20 0.51
DRD2 P14416 8/20 0.51
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTR6 P50406 2/20 0.46
RECQL P46063 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL6234661 0.86 HTR1A (0.67) HTR1AHTR7DRD2LMNAMAPT
SCHEMBL6241268 0.83 HTR1A (0.37) HTR1AHTR7DRD2LMNAMAPT
SCHEMBL6241149 0.83 HTR1A (0.61) HTR1AHTR7DRD2ADRA1B
SCHEMBL4528441 0.78 ADRA1D (0.53) HTR1AHTR7DRD2HTR6ADRA1B
Hydrochloric Acid SCHEMBL4534062 0.78 ADRA1D (0.52) HTR1AHTR7DRD2HTR6ADRA1B
SCHEMBL4521352 0.77 HTR1A (0.47) HTR1AHTR7DRD2HTR6ADRA1B
Hydrochloric Acid SCHEMBL4517586 0.76 HTR1A (0.47) HTR1AHTR7DRD2LMNAMAPT
SCHEMBL6243936 0.76 ADRA1B (0.54) HTR1AHTR7DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL6209546 0.75 ADRA1B (0.56) HTR1AHTR7DRD2LMNAADRA1B
SCHEMBL4522919 0.75 HTR1A (0.42) HTR1AHTR7DRD2HTR6

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
WO-2005018643-A1 METABOLITES OF 1-{3-4`4-(2-METHOXYPHENYL) PIPERAZIN-1-YL!-PROPYL}-PIPERIDINE-2, 6-DIONE FOR USE IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2005-03-03 WO claimed
WO-2005018643-A1 METABOLITES OF 1-{3-4`4-(2-METHOXYPHENYL) PIPERAZIN-1-YL!-PROPYL}-PIPERIDINE-2, 6-DIONE FOR USE IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2005-03-03 WO disclosed