SCHEMBL8874433

SCHEMBL8874433

NS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCN3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.62
HTR1A P08908 2/20 0.57
HTR1B P28222 2/20 0.57
HTR2C P28335 2/20 0.57
HTR1F P30939 2/20 0.57
HTR1D P28221 1/20 0.57
HTR7 P34969 1/20 0.57

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
SCHEMBL8874424 1.00 HTR6 (0.62) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL7104621 0.85 HTR1B (0.65) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL7104625 0.85 HTR1B (0.65) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8699573 0.83 HTR6 (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8699581 0.83 HTR6 (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8790536 0.82 HTR1B (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8790532 0.82 HTR1B (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8789718 0.82 HTR6 (0.56) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8789712 0.82 HTR6 (0.56) HTR6HTR1AHTR1BHTR2CHTR1F
Hydrochloric Acid SCHEMBL8886514 0.81 HTR6 (0.55) HTR6HTR1AHTR1BHTR2CHTR1F

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
US-5618834-A Indole derivatives in the treatment of emesis PFIZER INC. (US) 1997-04-08 US 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
EP-0714659-A2 Indole derivatives in the treatment of emesis Pfizer Limited (GB) 1996-06-05 EP disclosed