SCHEMBL8891546

SCHEMBL8891546

NC1Cc2c[nH]c3ccc(C(=O)O)c(c23)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1D P28221 5/20 0.36
HTR1B P28222 5/20 0.36
DRD2 P14416 2/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL7514066 0.89 HTR1A (0.47) HTR1AMTNR1AMTNR1BHTR1DHTR1B
Hydrochloric Acid SCHEMBL7515525 0.87 HTR1A (0.46) HTR1AMTNR1AMTNR1BHTR1DHTR1B
Fumaric Acid SCHEMBL7514859 0.84 HTR1A (0.42) HTR1AMTNR1AMTNR1BHSD17B10HTR1D
Fumaric Acid SCHEMBL7515760 0.84 HTR1A (0.42) HTR1AMTNR1AMTNR1BHSD17B10HTR1D
Succinic Acid SCHEMBL7517288 0.84 HTR1A (0.45) HTR1AMTNR1AMTNR1BHTR1DHTR1B
Maleic Acid SCHEMBL7514854 0.84 HTR1A (0.42) HTR1AMTNR1AMTNR1BHSD17B10HTR1D
Propionic Acid SCHEMBL7514987 0.83 HTR1A (0.49) HTR1AMTNR1AMTNR1BHTR1DHTR1B
Oxalic Acid SCHEMBL10340260 0.82 MAOA (0.43) HTR1AMTNR1AMTNR1BDRD2
SCHEMBL8892925 0.82 HTR1A (0.41) HTR1AMTNR1AMTNR1B
SCHEMBL8891420 0.80 MTNR1A (0.52) HTR1AMTNR1AMTNR1BCYP1A2HSD17B10

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 14 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
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP 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
EP-0392768-B1 Tetrahydrobenz[C,D] indole serotonin agonists LILLY CO ELI (US) 1994-12-07 EP 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
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0392768-A1 Tetrahydrobenz[C,D] indole serotonin agonists ELI LILLY AND COMPANY (US) 1990-10-17 EP disclosed