SCHEMBL8208940

SCHEMBL8208940

CN1CC=C(c2c(F)n(S(=O)(=O)c3ccc4ccccc4c3)c3cccc(F)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.46
HSD11B1 P28845 1/20 0.45
PKM P14618 3/20 0.44
PKLR P30613 1/20 0.44
HTR1A P08908 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4673642 0.72 HTR6 (0.73) HTR6
SCHEMBL4670811 0.71 HTR6 (0.59) HTR6HSD11B1HTR1AHTR7
SCHEMBL4670938 0.70 HTR6 (0.43) HTR6HSD11B1HTR1AHTR7
SCHEMBL3340885 0.69 PKM (0.48) HTR6PKMSMN1; SMN2
SCHEMBL4671200 0.65 HTR6 (0.61) HTR6HSD11B1
SCHEMBL3338517 0.64 HTR6 (0.51) HTR6PKMPKLRHTT
SCHEMBL7567609 0.63 HTR6 (0.58) HTR6HTR2AHTR2CDRD3
SCHEMBL4677214 0.63 HTR6 (0.42) HTR6LMNAHTT
SCHEMBL4733029 0.63 HTR6 (0.46) HTR6LMNA
SCHEMBL5253914 0.63 HTR6 (0.63) HTR6HTR1AHTR2AHTR7

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-6133287-A SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS, E.G., PSYCHOSIS, SCHIZOPHRENIA, MANIC DEPRESSION, DEPRESSION, MEMORY DISTURBANCES, PARKINSONISM, AMYLOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-17 US claimed