SCHEMBL7464571

SCHEMBL7464571

COc1cccc2c1OC(CO)CO2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 12/20 0.58
ADRA1A P35348 12/20 0.58
ADRA1B P35368 12/20 0.58
HTR1A P08908 6/20 0.55
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL7464563 1.00 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL8593528 0.88 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL8593309 0.85 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL3885649 0.85 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL8131142 0.83 ADRA1D (0.65) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL8131145 0.83 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL8126724 0.82 ADRA1D (0.67) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL29424108 0.82 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL8126727 0.82 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6981978 0.81 CA2 (0.41) ADRA1DADRA1AADRA1BHTR1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021442-B1 8-AZABICYCLO 3.2.1] OCTANE-3-METHANAMINE DERIVATIVES AS LIGANDS OF D2 AND D3 DOPAMINE AND 5HT1A AND 5HT2 SEROTONIN RECEPTORS SANOFI SYNTHELABO (FR) 2002-01-30 EP disclosed
US-6221879-B1 8-azabicyclo[3.2.1] octane-3-methanamine derivatives as ligands of D2 and D3 dopamine and 5HT1A and 5HT2 serotonin receptors SANOFI-SYNTHELABO (FR) 2001-04-24 US disclosed
EP-0717739-B1 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses KNOLL AG (DE) 2000-03-29 EP disclosed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
EP-0565732-B1 BENZODIOXANE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-01-14 EP disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP disclosed
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 WO disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed