SCHEMBL8315103

SCHEMBL8315103

c1ccc(CN2C[C@@H]3COc4ccccc4[C@H]3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 1.00
DRD3 P35462 14/20 1.00
HTR1A P08908 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
FUCA1 P04066 2/20 0.47

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
SCHEMBL29960315 1.00 DRD2 (1.00) DRD2DRD3HTR1ASIGMAR1FUCA1
SCHEMBL8317999 1.00 DRD2 (1.00) DRD2DRD3HTR1ASIGMAR1FUCA1
Hydrochloric Acid SCHEMBL8685028 0.99 DRD2 (0.97) DRD2DRD3HTR1ASIGMAR1FUCA1
Hydrochloric Acid SCHEMBL8687792 0.99 DRD2 (0.97) DRD2DRD3HTR1ASIGMAR1FUCA1
Hydrochloric Acid SCHEMBL8902661 0.99 DRD2 (0.97) DRD2DRD3HTR1ASIGMAR1FUCA1
SCHEMBL1806173 0.86 DRD2 (0.75) DRD2DRD3SIGMAR1
SCHEMBL1806170 0.86 DRD2 (0.75) DRD2DRD3SIGMAR1
SCHEMBL1806167 0.86 DRD2 (0.75) DRD2DRD3SIGMAR1
SCHEMBL2598923 0.86 DRD2 (0.75) DRD2DRD3SIGMAR1
SCHEMBL8313033 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed
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