SCHEMBL8529944

SCHEMBL8529944

CNS(=O)(=O)CC1(CCN(C)C)CNc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR1E P28566 1/20 0.30
HTR1F P30939 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30
HTR5A P47898 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30

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
SCHEMBL13788728 0.79 LMNA (0.36) LMNAHTR1AHTR2AHTR2CHTR2B
SCHEMBL13788693 0.66 SLC6A2 (0.35) LMNAHTR1AHTR2AHTR2CHTR2B
SCHEMBL11805576 0.66 KDM1A (0.34) HTR5A
SCHEMBL6882141 0.66 POLB (0.37) HTR2CHTR5A
SCHEMBL11641093 0.65 CDC7 (0.40) LMNAHTR1AHTR2AHTR2CHTR2B
SCHEMBL27866953 0.65 HTR7 (0.42) LMNAHTR7HTR5A
SCHEMBL11645508 0.64 UTS2R (0.34) LMNAHTR1AHTR2AHTR2CHTR2B
SCHEMBL11730098 0.61 ALOX12 (0.33) LMNAHTR1AHTR2AHTR2CHTR2B
SCHEMBL11643574 0.61 DRD2 (0.39) HTR1AHTR2AHTR2CHTR2BHTR3A
SCHEMBL13849307 0.61 KDM1A (0.33) HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639072-B1 PHARMACEUTICAL COMPOSITIONS OF ALKYLSULPHONAMIDES 5HT1 AGONISTS FOR RECTAL ADMINISTRATION GLAXO WELLCOME LAB (FR) 1998-03-11 EP disclosed
EP-0639072-A1 PHARMACEUTICAL COMPOSITIONS OF ALKYLSULPHONAMIDES 5HT1 AGONISTS FOR RECTAL ADMINISTRATION LABORATOIRE GLAXO WELLCOME (FR) 1995-02-22 EP disclosed
WO-1993021916-A1 PHARMACEUTICAL COMPOSITIONS OF ALKYLSULPHONAMIDES 5HT1 AGONISTS FOR RECTAL ADMINISTRATION LABORATOIRES GLAXO SA (FR) 1993-11-11 WO disclosed