SCHEMBL8158813

SCHEMBL8158813

CNS(=O)(=O)Cc1ccc2[nH]c(C(C)N(C)C)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.45
▸ HTR1B P28222 4/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ HTR1F P30939 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR5A P47898 1/20 0.45
▸ SLC47A1 Q96FL8 1/20 0.45
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33

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
Sulfuric Acid SCHEMBL8624153 0.96 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2AHTR2C
Succinic Acid SCHEMBL8383592 0.92 ALDH1A1 (0.42) HTR1DHTR1BHTR1AHTR2AHTR2C
Naratriptan SCHEMBL8716115 0.77 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8990519 0.76 HTR1D (0.43) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8158816 0.75 HTR1D (0.59) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL6843293 0.74 HTR1D (0.61) HTR1DHTR1BHTR1AHTR2AHTR2C
Sulfuric Acid SCHEMBL8624157 0.72 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8028959 0.71 HTR1D (0.51) HTR1DHTR1BHTR1AHTR2AHTR1F
Benzoic Acid SCHEMBL4541736 0.71 HTR1D (0.41) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL5918472 0.70 CYP19A1 (0.55) HTR1DHTR1BHTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807571-A Transdermal therapeutic systems for administering indole serotonin agonists LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 1998-09-15 — — US claimed
US-5705520-A FOR TREATMENT OF MIGRAINES GLAXO GROUP LIMITED (GB) 1998-01-06 — — US claimed
US-5705506-A TREATMENT OF MIGRAINES OR HEADACHES LABORATOIRES GLAXO SA (FR) 1998-01-06 — — US claimed
US-5693654-A Medicaments for treating intraocular pressure GLAXO GROUP LIMITED (GB) 1997-12-02 — — US claimed
EP-0975594-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES Pfizer Limited (GB) 2000-02-02 — — EP disclosed
US-5863559-A 3-(2-(DIMETHYLAMINO)ETHYL)-N-METHYL-1H-INDOLE-5-METHANESULPHON AMIDE OR A PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF IN TABLET FORM GLAXO GROUP LIMITED (GB) 1999-01-26 — — US disclosed
US-5863559-A 3-(2-(DIMETHYLAMINO)ETHYL)-N-METHYL-1H-INDOLE-5-METHANESULPHON AMIDE OR A PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF IN TABLET FORM GLAXO GROUP LIMITED (GB) 1999-01-26 — — US disclosed
WO-1999002493-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LIMITED (GB) 1999-01-21 — — WO disclosed
US-5807571-A Transdermal therapeutic systems for administering indole serotonin agonists LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 1998-09-15 — — US disclosed
US-5744482-A Serotonin agonist in combination with a tachykinin receptor antagonist in the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-28 — — US disclosed
US-5705520-A FOR TREATMENT OF MIGRAINES GLAXO GROUP LIMITED (GB) 1998-01-06 — — US disclosed
US-5705506-A TREATMENT OF MIGRAINES OR HEADACHES LABORATOIRES GLAXO SA (FR) 1998-01-06 — — US disclosed
US-5693654-A Medicaments for treating intraocular pressure GLAXO GROUP LIMITED (GB) 1997-12-02 — — US disclosed
US-5693654-A Medicaments for treating intraocular pressure GLAXO GROUP LIMITED (GB) 1997-12-02 — — US disclosed
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