SCHEMBL6928545

SCHEMBL6928545

CCCOc1ccccc1C1=CCN(CCCCN2CCN(c3ccc(F)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
DRD3 P35462 2/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 2/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
PARP1 P09874 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
CYP1A1 P04798 2/20 0.37

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
SCHEMBL6928543 0.87 DRD2 (0.43) DRD2DRD3HTR7HTR1ADRD4
Oxalic Acid SCHEMBL6926575 0.83 KCNH2 (0.41) DRD2DRD3HTR7HTR1ADRD4
SCHEMBL6928645 0.80 PARP1 (0.40) DRD2HTR6PARP1PPARGPPARA
SCHEMBL6926651 0.79 DRD2 (0.55) DRD2DRD3HTR7HTR1ADRD4
SCHEMBL6928842 0.78 DRD2 (0.47) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL14761735 0.71 DRD2 (0.57) DRD2DRD3HTR7HTR1ADRD4
SCHEMBL6930016 0.71 PARP1 (0.39) DRD2HTR6PARP1PPARGPPARA
SCHEMBL6929163 0.70 DRD2 (0.52) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL6924603 0.70 DRD3 (0.55) DRD2DRD3HTR7HTR1AHTR6
SCHEMBL6928660 0.69 PARP1 (0.38) DRD2DRD3HTR7HTR1ADRD4

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
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed