SCHEMBL4702240

SCHEMBL4702240

O=S(=O)(c1cnc2ccc(N3CCNCC3)cc2c1)N1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.61
DRD3 P35462 6/20 0.61
PKM P14618 4/20 0.53
JAK2 O60674 2/20 0.53
ALDH1A1 P00352 4/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
DRD2 P14416 4/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4699254 0.89 HTR6 (0.60) HTR6DRD3PKMJAK2ALDH1A1
SCHEMBL4702019 0.82 HTR6 (0.67) HTR6DRD3PKMJAK2ALDH1A1
Hydrochloric Acid SCHEMBL4697947 0.81 HTR6 (0.66) HTR6DRD3PKMJAK2ALDH1A1
SCHEMBL4690981 0.79 HTR6 (0.61) HTR6DRD3CHRNB2CHRNA4DRD2
SCHEMBL4702293 0.78 CHRNB2 (0.50) HTR6PKMALDH1A1MCOLN3CHRNB2
SCHEMBL28393673 0.76 HTR6 (1.00) HTR6DRD3DRD2KMT2AHRH3
SCHEMBL4703630 0.76 ALDH1A1 (0.47) HTR6PKMALDH1A1CHRNB2CHRNA4
SCHEMBL9903634 0.74 HTR6 (0.50) HTR6CHRNB2CHRNA4DRD2HTR1A
SCHEMBL4757679 0.73 HTR6 (0.56) HTR6DRD3CHRNB2CHRNA4HRH3
SCHEMBL9903085 0.72 HTR6 (0.57) HTR6ALDH1A1CHRNB2CHRNA4DRD2

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-1660483-B1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-12-24 EP claimed