SCHEMBL8314639

SCHEMBL8314639

COc1ccc2c(c1)OC[C@H]1CN(Cc3ccccc3)C[C@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 1.00
DRD3 P35462 13/20 1.00
SIGMAR1 Q99720 5/20 0.49
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR5A P47898 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL8315986 1.00 DRD2 (1.00) DRD2DRD3SIGMAR1MAPTMAPK1
Hydrochloric Acid SCHEMBL8686327 0.99 DRD2 (0.98) DRD2DRD3SIGMAR1MAPTMAPK1
Hydrochloric Acid SCHEMBL8686468 0.99 DRD2 (0.98) DRD2DRD3SIGMAR1MAPTMAPK1
Hydrochloric Acid SCHEMBL8903625 0.99 DRD2 (0.98) DRD2DRD3SIGMAR1MAPTMAPK1
SCHEMBL8317822 0.91 DRD2 (1.00) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8903800 0.90 DRD2 (0.98) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8686317 0.90 DRD2 (0.98) DRD2DRD3SIGMAR1
SCHEMBL8386483 0.83 DRD2 (0.71) DRD2DRD3MAPTMAPK1TDP1
SCHEMBL8318539 0.83 DRD2 (0.81) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8685262 0.82 DRD2 (0.80) DRD2DRD3SIGMAR1

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 2 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
EP-0691342-A1 Benzopyrane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed