SCHEMBL8828465

SCHEMBL8828465

CCOc1ccccc1N1CCN(CCCN)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.64
DRD3 P35462 4/20 0.64
DRD4 P21917 2/20 0.63
ADRA1D P25100 4/20 0.60
ADRA1A P35348 4/20 0.60
ADRA1B P35368 4/20 0.60
HTR1A P08908 7/20 0.59
HTR7 P34969 5/20 0.57
HTR6 P50406 3/20 0.57
HTR2A P28223 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL10546259 0.96 DRD2 (0.63) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL10545947 0.92 DRD2 (0.66) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL10676614 0.87 DRD2 (0.68) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL29395171 0.86 DRD2 (0.76) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2215388 0.86 DRD2 (0.76) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL8828610 0.85 DRD2 (0.57) DRD2DRD3DRD4ADRA1DADRA1A
Hydrochloric Acid SCHEMBL29072812 0.84 DRD2 (0.74) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11047866 0.84 DRD2 (0.74) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9293656 0.83 DRD2 (0.66) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL10546695 0.83 DRD2 (0.70) DRD2DRD3DRD4ADRA1DADRA1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
US-4841051-A ALPHA-RECEPTOR BLOCKING AGENTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-06-20 US disclosed
EP-0228605-A1 Phenylpiperazine derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1987-07-15 EP disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed
EP-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed