SCHEMBL8891420

SCHEMBL8891420

CNC1Cc2c[nH]c3ccc(C(=O)O)c(c23)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HTR1A P08908 2/20 0.47
HTR1D P28221 7/20 0.36
HTR1B P28222 7/20 0.36
DRD2 P14416 2/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.33

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
SCHEMBL7519588 0.88 MTNR1A (0.51) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Fumaric Acid SCHEMBL9238809 0.85 MTNR1A (0.46) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Maleic Acid SCHEMBL9238804 0.85 MTNR1A (0.46) MTNR1AMTNR1BHTR1AHTR1DHTR1B
Formic Acid SCHEMBL7514970 0.84 MTNR1A (0.47) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL9357232 0.84 HTR1D (0.52) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL8891553 0.82 HTR1A (0.49) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL10340392 0.81 MTNR1A (0.50) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL8891546 0.80 HTR1A (0.47) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL8893706 0.79 HTR1A (0.59) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL23261952 0.78 MTNR1A (0.47) MTNR1AMTNR1BHTR1AHTR1DHTR1B

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 13 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
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