SCHEMBL8874335

SCHEMBL8874335

CN(C)C1CCc2cccc(S(=O)(=O)c3ccccc3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.57
CHRM3 P20309 2/20 0.55
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
HTR1A P08908 6/20 0.48
HTR7 P34969 6/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 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
SCHEMBL8876236 0.74 HTR1A (0.56) HTR1AHTR7DRD2DRD3
SCHEMBL9195680 0.73 CHRM3 (0.66) CHRM3CHRM2CHRM1HTR1AHTR7
Hydrochloric Acid SCHEMBL9359509 0.73 DRD2 (0.58) DRD2DRD4DRD3
SCHEMBL4207429 0.73 HTR6 (0.59) HTR6CHRM3CHRM2CHRM1HTR1A
SCHEMBL3205572 0.72 HTR6 (1.00) HTR6HTR1ADRD2DRD3
SCHEMBL14591308 0.72 CHRM3 (0.69) CHRM3CHRM2CHRM1HTR1AHTR7
SCHEMBL6540873 0.71 CHRM3 (0.67) CHRM3CHRM2CHRM1HTR1AHTR7
SCHEMBL5361640 0.71 CHRM3 (0.67) CHRM3CHRM2CHRM1HTR1AHTR7
Hydrochloric Acid SCHEMBL6542162 0.71 CHRM3 (0.67) CHRM3CHRM2CHRM1HTR1AHTR7
SCHEMBL8891132 0.71 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR1AHTR7

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-5637624-A ANTISEROTONIN AGENT ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
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-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 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-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-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed