SCHEMBL8790276

SCHEMBL8790276

CNS(=O)(=O)/C=C/c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.67
HTR1D P28221 5/20 0.67
HTR6 P50406 12/20 0.58
HTR1A P08908 3/20 0.57
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
OPRM1 P35372 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL8789559 0.88 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL8790208 0.88 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL8790450 0.88 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL8790440 0.88 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL8790446 0.88 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL8790203 0.88 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL505788 0.85 HTR6 (0.66) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL505790 0.85 HTR6 (0.66) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL505789 0.85 HTR6 (0.66) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL10083480 0.85 HTR6 (0.66) HTR1BHTR1DHTR6HTR1ACHRM2

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 8 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-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 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-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-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed