SCHEMBL17580720

SCHEMBL17580720

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.42
HTR2A P28223 4/20 0.42
GRM5 P41594 1/20 0.39
CHRM1 P11229 1/20 0.38
USP9X Q93008 1/20 0.37
ALK Q9UM73 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL17580677 0.95 HTR6 (0.41) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL17580741 0.91 HTR6 (0.43) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL17580996 0.91 HTR6 (0.43) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL17580761 0.90 HTR6 (0.37) HTR6USP9X
SCHEMBL17580765 0.89 TRPV1 (0.39) HTR6USP9X
SCHEMBL17580617 0.87 HTR6 (0.42) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL17580927 0.86 HTR6 (0.46) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL17580888 0.84 HTR6 (0.52) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL17580675 0.84 HTR6 (0.44) HTR6HTR2AGRM5CHRM1ALK
SCHEMBL13359004 0.83 HTR6 (0.61) HTR6HTR2ACHRM1HTR2CHTR2B

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