SCHEMBL7689207

SCHEMBL7689207

CN1CCN(c2ccc(Br)c(C(N)=O)c2)CC1.Cc1c(S(=O)(=O)O)sc2ccc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.53
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR1F P30939 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
HTR4 Q13639 1/20 0.46
MAP2 P11137 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL7689211 0.88 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL7689209 0.78 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL6968299 0.76 NPC1 (0.51) HTR6HTR1DHTR1BHTR2AJAK2
SCHEMBL2226181 0.74 NPSR1 (0.60) PFKFB3CMA1PFKFB4
Hydrochloric Acid SCHEMBL6712744 0.73 NPSR1 (0.59) PFKFB3CMA1PFKFB4
SCHEMBL6980951 0.72 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1548591 0.68 NPSR1 (0.62) HTR6PFKFB3CMA1PFKFB4
SCHEMBL1786156 0.67 MAPT (0.54) JAK2JAK1TYK2JAK3CSF1R
SCHEMBL3224987 0.66 KMT2A (0.52) HTR6JAK2JAK1TYK2JAK3
SCHEMBL30760533 0.66 KMT2A (0.52) HTR6JAK2JAK1TYK2JAK3

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
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed