SCHEMBL2450282

SCHEMBL2450282

O=S(=O)(c1ccccc1)c1cnc2c(C3CCNCC3)cccc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.61
HTR2A P28223 4/20 0.61
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
HTR7 P34969 1/20 0.61
HTR2B P41595 2/20 0.56
PLAT P00750 1/20 0.42
HTR2C P28335 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 SCHEMBL951642 0.99 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL950399 0.90 HTR6 (0.51) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL949296 0.89 HTR6 (0.50) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2447533 0.88 HTR6 (0.58) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL949561 0.87 HTR6 (0.57) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL952720 0.86 HTR6 (0.55) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL948371 0.86 HTR6 (0.48) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL949399 0.82 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4688092 0.81 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4648947 0.81 HTR6 (0.58) HTR6HTR2AHTR1ADRD2HTR7

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
CN-101679351-B Quinoline compounds suitable for treating didorders that respond to modulation of the serotonin 5-ht6 receptor ABBVIE GMBH & CO KG 2015-01-07 CN claimed
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