SCHEMBL8790371

SCHEMBL8790371

CCN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)CC)cc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.61
HTR1A P08908 4/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
SLC6A2 P23975 1/20 0.61
OPRM1 P35372 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
HTR1D P28221 5/20 0.57
SLC6A4 P31645 1/20 0.49
LMNA P02545 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR6 P50406 10/20 0.46

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
SCHEMBL8790365 1.00 HTR1B (0.61) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8888353 0.92 HTR1B (0.59) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8888877 0.91 HTR1B (0.58) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8888071 0.91 HTR1B (0.58) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8887494 0.91 HTR1B (0.60) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8887071 0.91 HTR1B (0.60) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8888251 0.90 HTR1B (0.56) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8887098 0.90 HTR1B (0.64) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8903089 0.90 HTR1B (0.56) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL9030541 0.90 HTR1B (0.59) HTR1BHTR1ACHRM2ADRA2ACHRM1

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 5 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-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