SCHEMBL2450686

SCHEMBL2450686

O=S(=O)(c1cccc(Br)c1)c1cnc2ccc(C3CCNCC3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.40
HTR1A P08908 5/20 0.39
HTR7 P34969 3/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.37
EGFR P00533 2/20 0.35
HTR2B P41595 4/20 0.35
HTR2C P28335 4/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
EP300 Q09472 1/20 0.34

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
SCHEMBL2450284 0.88 HTR6 (0.47) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL2446379 0.85 HTR2C (0.52) HTR6HTR2C
SCHEMBL2448448 0.83 HTR6 (0.50) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL2450688 0.81 HTR6 (0.45) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL949296 0.80 HTR6 (0.50) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL2448414 0.76 HTR6 (0.44) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4649415 0.72 ROCK1 (0.46) HTR6HTR1AHTR7DRD2HTR2A
Tert-Butyl Formate SCHEMBL27986724 0.71 HTR6 (0.44) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4688099 0.70 HTR6 (0.43) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL264556 0.69 HTR2C (0.62) HTR6DRD2HTR2ADRD3HTR2B

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-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP claimed