SCHEMBL8316872

SCHEMBL8316872

COc1ccc2c(c1)OC(=O)C1CN(Cc3ccccc3)CC21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.67
DRD3 P35462 5/20 0.67
SIGMAR1 Q99720 4/20 0.48
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACHE P22303 3/20 0.42
DRD4 P21917 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL8316875 1.00 DRD2 (0.67) DRD2DRD3SIGMAR1HTR1AHTR7
SCHEMBL8316870 1.00 DRD2 (0.67) DRD2DRD3SIGMAR1HTR1AHTR7
SCHEMBL8314148 0.81 DRD2 (0.60) DRD2DRD3HTR1AHTR6HTR2A
SCHEMBL350298 0.81 DRD2 (0.60) DRD2DRD3HTR1AHTR6HTR2A
SCHEMBL29960543 0.81 DRD2 (0.60) DRD2DRD3HTR1AHTR6HTR2A
SCHEMBL8314144 0.81 DRD2 (0.60) DRD2DRD3HTR1AHTR6HTR2A
SCHEMBL8315986 0.81 DRD2 (1.00) DRD2DRD3SIGMAR1HTR1AHTR2A
SCHEMBL8314639 0.81 DRD2 (1.00) DRD2DRD3SIGMAR1HTR1AHTR2A
Hydrochloric Acid SCHEMBL8686327 0.80 DRD2 (0.98) DRD2DRD3SIGMAR1HTR1AHTR2A
Hydrochloric Acid SCHEMBL8686468 0.80 DRD2 (0.98) DRD2DRD3SIGMAR1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691342-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-04-28 EP disclosed
US-5663191-A PSYCHIATRIC DISEASES, ANXIETY AND ANTIDEPRESSANTS ADIR ET COMPAGNIE (FR) 1997-09-02 US disclosed
EP-0691342-A1 Benzopyrane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed