SCHEMBL17580888

SCHEMBL17580888

CN1C[C@@H]2CN(c3ccc4ncc(S(=O)(=O)c5cccc(F)c5)cc4c3)C[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.52
HTR2A P28223 3/20 0.52
CHRM1 P11229 2/20 0.43
GRM5 P41594 1/20 0.42
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
FGFR4 P22455 1/20 0.37
ALK Q9UM73 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17580927 0.88 HTR6 (0.46) HTR6HTR2ACHRM1GRM5CHRNB2
SCHEMBL9902745 0.87 HTR6 (0.66) HTR6HTR2AGRM5FGFR4POLB
SCHEMBL17580996 0.85 HTR6 (0.43) HTR6HTR2ACHRM1GRM5CHRNB2
SCHEMBL17580741 0.85 HTR6 (0.43) HTR6HTR2ACHRM1GRM5CHRNB2
SCHEMBL17580617 0.84 HTR6 (0.42) HTR6HTR2ACHRM1GRM5ALK
SCHEMBL17580720 0.84 HTR6 (0.42) HTR6HTR2ACHRM1GRM5ALK
SCHEMBL17580677 0.82 HTR6 (0.41) HTR6HTR2ACHRM1GRM5ALK
SCHEMBL17580721 0.82 HTR6 (0.42) HTR6HTR2AGRM5CHRNB2CHRNA7
SCHEMBL17580675 0.82 HTR6 (0.44) HTR6HTR2ACHRM1GRM5ALK
SCHEMBL9902830 0.82 HTR6 (0.48) HTR6HTR2AGRM5ALK

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