SCHEMBL17580765

SCHEMBL17580765

O=S(=O)(c1cccc(C(F)(F)F)c1)c1cnc2ccc(N3CC4CCNC4C3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CA P42336 1/20 0.38
HTR6 P50406 4/20 0.37
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSS P25774 1/20 0.36
HTT P42858 1/20 0.36
USP9X Q93008 1/20 0.35
GBA1 P04062 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PTPN11 Q06124 1/20 0.35
AKR1B1 P15121 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
SCHEMBL17580720 0.89 HTR6 (0.42) HTR6USP9X
SCHEMBL17580798 0.88 HTR6 (0.44) TRPV1PIK3CAHTR6AKR1C3KDM4E
SCHEMBL17580665 0.87 PIK3CA (0.42) TRPV1PIK3CAHTR6KDM4EHTT
SCHEMBL17580761 0.84 HTR6 (0.37) PIK3CAHTR6USP9XTP53MAPT
SCHEMBL17580677 0.83 HTR6 (0.41) HTR6
SCHEMBL3646672 0.83 HTR6 (0.50) SCN9APIK3CAHTR6AKR1C3KDM4E
SCHEMBL9903397 0.82 HTR6 (0.41) TRPV1SCN9APIK3CAHTR6KDM4E
SCHEMBL17580996 0.79 HTR6 (0.43) HTR6
SCHEMBL17580741 0.79 HTR6 (0.43) HTR6
SCHEMBL17580828 0.78 CHRNB2 (0.45) HTR6

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-2185555-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2016-03-16 EP claimed