SCHEMBL8890771

SCHEMBL8890771

CCCNC1Cc2c[nH]c3ccc(C(O)=S)c(c23)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR1A P08908 3/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
DRD2 P14416 4/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 2/20 0.37
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8891187 0.91 HTR1A (0.45) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL9357232 0.88 HTR1D (0.52) HTR1DHTR1BHTR1AMTNR1AMTNR1B
Oxalic Acid SCHEMBL7513247 0.84 HTR1A (0.47) HTR1DHTR1BHTR1AMTNR1AMTNR1B
Bromide SCHEMBL7513869 0.84 HTR1A (0.49) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL7201548 0.83 HTR1A (0.48) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL8891553 0.82 HTR1A (0.49) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL9532979 0.79 MTNR1A (0.64) HTR1DHTR1BMTNR1AMTNR1BDRD2
SCHEMBL8891075 0.77 HTR1A (0.76) HTR1DHTR1BHTR1ADRD2
SCHEMBL7516393 0.75 HTR1A (0.49) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL8892155 0.74 HTR1A (0.53) HTR1DHTR1BHTR1AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5462962-A Administering to mammals to selectively block biological receptors to treat anxiety or depression ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5204340-A Anxiolytic agents; antidepressants; consumptive disorders,e.g. obesity, alcoholism and smoking; sexual dysfunction ELI LILLY AND COMPANY (US) 1993-04-20 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
EP-0392768-A1 Tetrahydrobenz[C,D] indole serotonin agonists ELI LILLY AND COMPANY (US) 1990-10-17 EP disclosed