SCHEMBL8317822

SCHEMBL8317822

COc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@@H]1CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD3 P35462 17/20 1.00
SIGMAR1 Q99720 2/20 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
Hydrochloric Acid SCHEMBL8903800 0.99 DRD2 (0.98) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8686317 0.99 DRD2 (0.98) DRD2DRD3SIGMAR1
SCHEMBL8315986 0.91 DRD2 (1.00) DRD2DRD3SIGMAR1
SCHEMBL8314639 0.91 DRD2 (1.00) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8686327 0.90 DRD2 (0.98) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8686468 0.90 DRD2 (0.98) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8903625 0.90 DRD2 (0.98) DRD2DRD3SIGMAR1
SCHEMBL8387283 0.83 DRD2 (0.71) DRD2DRD3SIGMAR1
SCHEMBL8387680 0.83 DRD2 (0.71) DRD2DRD3SIGMAR1
SCHEMBL8318315 0.83 DRD2 (1.00) DRD2DRD3

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