SCHEMBL8790026

SCHEMBL8790026

CNS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCCN3C)c2c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.94
HTR1D P28221 6/20 0.94
HTR1A P08908 4/20 0.62
CHRM2 P08172 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A2 P23975 1/20 0.62
OPRM1 P35372 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
HTR6 P50406 11/20 0.58
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
HTR1F P30939 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
HTR3A P46098 1/20 0.55
HTR5A P47898 1/20 0.55

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
SCHEMBL8790021 1.00 HTR1B (0.94) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7103416 0.97 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL29391208 0.97 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7103413 0.97 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
Fumaric Acid SCHEMBL7834727 0.90 HTR1B (0.86) HTR1BHTR1DHTR1ACHRM2ADRA2A
Fumaric Acid SCHEMBL7834729 0.90 HTR1B (0.86) HTR1BHTR1DHTR1ACHRM2ADRA2A
Fumaric Acid SCHEMBL7834732 0.90 HTR1B (0.86) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789303 0.88 HTR1B (0.83) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789309 0.88 HTR1B (0.83) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL9079373 0.88 HTR1B (0.83) HTR1BHTR1DHTR1ACHRM2ADRA2A

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-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 EP disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 US disclosed
US-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 US disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed