SCHEMBL7689211

SCHEMBL7689211

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.56
HTR1A P08908 3/20 0.47
HTR1D P28221 3/20 0.47
HTR1B P28222 3/20 0.47
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
DRD2 P14416 2/20 0.47
HTR2C P28335 2/20 0.47
ADRA1B P35368 2/20 0.47
DRD3 P35462 2/20 0.47
HTR4 Q13639 2/20 0.47
HTR1E P28566 1/20 0.47
HTR1F P30939 1/20 0.47
HTR2B P41595 1/20 0.47
HRH4 Q9H3N8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL2 P10415 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7689207 0.88 HTR6 (0.53) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL7689209 0.80 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL2226181 0.76 NPSR1 (0.60) NPSR1L3MBTL1MAPTPFKFB3PFKFB4
Hydrochloric Acid SCHEMBL6712744 0.75 NPSR1 (0.59) NPSR1L3MBTL1MAPTPFKFB3PFKFB4
SCHEMBL6980951 0.74 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL6968303 0.72 GAA (0.62) HTR6L3MBTL1MAPTSIRT6
SCHEMBL1548591 0.70 NPSR1 (0.62) HTR6NPSR1L3MBTL1PFKFB3PFKFB4
SCHEMBL6980956 0.67 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3219783 0.67 HTR6 (0.54) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL6981823 0.67 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR2A

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