SCHEMBL2445495

SCHEMBL2445495

O=S(=O)(c1ccccc1)c1cnc2ccc(C3CCN(Cc4ccccc4)C3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
HTR2A P28223 1/20 0.43
HTR6 P50406 4/20 0.42
USP30 Q70CQ3 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN1A P35498 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL949635 0.80 HTR6 (0.55) DRD2HTR2AHTR6USP30ALDH1A1
SCHEMBL17580774 0.78 HRH3 (0.43) DRD2HTR2AHTR6
SCHEMBL2450284 0.77 HTR6 (0.47) DRD2HTR2AHTR6
SCHEMBL17580742 0.77 HTR6 (0.41) DRD2HTR2AHTR6ALDH1A1KMT2A
SCHEMBL2448414 0.77 HTR6 (0.44) DRD2HTR2AHTR6
SCHEMBL23121307 0.71 TLR9 (0.43) DRD2USP30ALDH1A1KDM4E
SCHEMBL31066834 0.71 HPGDS (0.44) DRD2HTR2AUSP30ALDH1A1
SCHEMBL2448448 0.69 HTR6 (0.50) DRD2HTR2AHTR6
SCHEMBL4688099 0.69 HTR6 (0.43) DRD2HTR2AHTR6
SCHEMBL6023725 0.69 MEN1 (0.68) DRD2KMT2A

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