SCHEMBL5239845

SCHEMBL5239845

O=c1c(N2CCN(Cc3ccccc3)CC2)nccn1CCOc1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.43
HTR3B O95264 4/20 0.43
HTR3A P46098 4/20 0.43
HTR3D Q70Z44 4/20 0.43
HTR3C Q8WXA8 4/20 0.43
HTR1A P08908 3/20 0.43
HTR2C P28335 2/20 0.43
HSD11B1 P28845 1/20 0.43
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HTR7 P34969 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Hydrochloric Acid SCHEMBL2641413 0.99 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2641201 0.91 AURKA (0.42) LTA4H
SCHEMBL2641037 0.89 AURKA (0.44) HTR1ARAB9AHTR7DRD2DRD3
SCHEMBL2641133 0.82 DRD2 (0.40) HTR1ADRD2DRD3KDM4E
SCHEMBL5235126 0.82 AURKA (0.41) LMNAMAPT
SCHEMBL2641109 0.81 HTR2C (0.39) HTR2CALDH1A1HSD17B10HPGD
SCHEMBL2641164 0.80 HRH3 (0.36)
SCHEMBL2641252 0.77 HTR2C (0.37) HTR2C
SCHEMBL5240101 0.77 KDM4E (0.35) HTR1AMEN1KMT2ADRD2ALDH1A1
SCHEMBL13404501 0.77 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP claimed