SCHEMBL7543876

SCHEMBL7543876

CNC1CCc2cccc(OC)c2C1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.80
DRD4 P21917 2/20 0.80
DRD3 P35462 2/20 0.80
MTNR1A P48039 7/20 0.68
MTNR1B P49286 7/20 0.68
CYP1A2 P05177 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
CHRM2 P08172 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59

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
SCHEMBL4518779 1.00 DRD2 (0.80) DRD2DRD4DRD3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7544278 0.98 DRD2 (0.78) DRD2DRD4DRD3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7543024 0.98 DRD2 (0.78) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8044481 0.89 DRD2 (1.00) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8044480 0.89 DRD2 (1.00) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8044484 0.89 DRD2 (1.00) DRD2DRD4DRD3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10849302 0.88 DRD2 (0.97) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL9355070 0.86 MTNR1A (0.66) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8892023 0.83 DRD2 (0.82) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8890686 0.83 MTNR1A (0.66) DRD2DRD4DRD3MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP claimed
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
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
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 EP disclosed
WO-1981003491-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES ASTRA LAEKEMEDEL AB (SE) 1981-12-10 WO disclosed
EP-0041488-A1 Therapeutically useful tetralin derivatives Arvidsson, Folke Lars-Erik (SE) 1981-12-09 EP disclosed