SCHEMBL9903178

SCHEMBL9903178

CN1CCN(c2ccc3ncc(S(=O)(=O)c4ccccc4C(F)(F)F)cc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.47
HTR6 P50406 11/20 0.46
HTR7 P34969 3/20 0.45
DRD2 P14416 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2C P28335 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
MET P08581 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL9903601 0.88 HTR6 (0.47) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9903412 0.87 HTR6 (0.60) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9901916 0.85 HTR3A (0.51) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9903167 0.83 HTR6 (0.58) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9902699 0.83 HTR3A (0.48) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL5072343 0.80 HTR6 (0.66) HTR6HTR7DRD2HTR2BHTR2C
SCHEMBL9903853 0.79 HTR6 (0.60) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9902745 0.78 HTR6 (0.66) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9903357 0.78 HTR6 (0.59) HTR3AHTR6HTR7DRD2HTR2B
SCHEMBL9903510 0.77 HTR6 (0.60) HTR3AHTR6HTR7DRD2HTR2B

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-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP claimed