SCHEMBL9400319

SCHEMBL9400319

CN(C)CCc1cccc2ccc(CS(=O)(=O)N3CCOCC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.54
HTR1A P08908 4/20 0.54
LMNA P02545 3/20 0.54
HTR2B P41595 2/20 0.54
ADRA2B P18089 1/20 0.54
KCNH2 Q12809 1/20 0.54
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PIK3CB P42338 3/20 0.39
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
HTR1F P30939 2/20 0.38
HTR7 P34969 2/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTR6 P50406 2/20 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
SCHEMBL9400451 0.84 LMNA (0.49) HTR2AHTR1ALMNAHTR2BADRA2B
SCHEMBL9400311 0.78 CNR1 (0.43) LMNANPSR1ALDH1A1MAPTKDM4E
Almotriptan SCHEMBL3273179 0.70 HTR1A (1.00) HTR2AHTR1ALMNAHTR2BADRA2B
Almotriptan SCHEMBL29396422 0.70 HTR1A (1.00) HTR2AHTR1ALMNAHTR2BADRA2B
SCHEMBL8208643 0.70 HTR1A (0.64) HTR2AHTR1ALMNAHTR2BADRA2B
Almotriptan SCHEMBL1957 0.70 HTR1A (1.00) HTR2AHTR1ALMNAHTR2BADRA2B
SCHEMBL9400339 0.70 LMNA (0.46) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL1437 0.70 HTR1A (0.98) HTR2AHTR1ALMNAHTR2BADRA2B
Almotriptan SCHEMBL2166 0.70 HTR1A (0.98) HTR2AHTR1ALMNAHTR2BADRA2B
Almotriptan SCHEMBL5042399 0.69 HTR1A (0.96) HTR2AHTR1ALMNAHTR2BADRA2B

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-5332759-A Treating a disorder due to vasodilation of the vascular system ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed