SCHEMBL7480780

SCHEMBL7480780

CN1CCC(c2c[nH]c3ccc(C=CS(N)(=O)=O)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.60
HTR1B P28222 12/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR1A P08908 2/20 0.53
HTR1F P30939 1/20 0.53
APP P05067 1/20 0.52
HTR6 P50406 3/20 0.50

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
SCHEMBL7480774 1.00 HTR1D (0.60) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9527462 0.88 HTR1D (0.56) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9793622 0.88 HTR1D (0.56) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9527471 0.88 HTR1D (0.56) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9793627 0.88 HTR1D (0.56) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL3260325 0.87 HTR1D (0.59) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL3260327 0.87 HTR1D (0.59) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9764575 0.82 MAPT (0.63) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9764568 0.82 MAPT (0.63) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7013891 0.82 HTR1D (0.66) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721453-B1 PROCESS FOR THE PREPARATION OF N-METHYL-3-(1-METHYL-4-PIPERIDINYL)-14-INDOLE-5-ETHANESULPHONAMIDE GLAXO GROUP LTD (GB) 2002-11-20 EP disclosed
US-5786473-A Process for the preparation of n-methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulphonamide GLAXO GROUP LIMITED (GB) 1998-07-28 US disclosed
US-5659040-A Process for the preparation of N-methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulphonamide GLAXO GROUP LIMITED (GB) 1997-08-19 US disclosed
EP-0721453-A1 PROCESS FOR THE PREPARATION OF N-METHYL-3-(1-METHYL-4-PIPERIDINYL)-14-INDOLE-5-ETHANESULPHONAMIDE GLAXO GROUP LIMITED (GB) 1996-07-17 EP disclosed
WO-1995009166-A1 PROCESS FOR THE PREPARATION OF N-METHYL-3-(1-METHYL-4-PIPERIDINYL)-14-INDOLE-5-ETHANESULPHONAMIDE GLAXO GROUP LIMITED (GB) 1995-04-06 WO disclosed
US-4997841-A Indole derivatives GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed
EP-0303507-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed