SCHEMBL6980360

SCHEMBL6980360

CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CN1CCC(c3ccccc3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
OGA O60502 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
SCN9A Q15858 1/20 0.36
HTR7 P34969 2/20 0.36
PRCP P42785 1/20 0.36

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
SCHEMBL6982079 0.85 DRD2 (0.43) SLC18A3DRD2DRD4DRD3SIGMAR1
SCHEMBL6983850 0.85 MEN1 (0.39) DRD2DRD3HTTHTR7
Hydrochloric Acid SCHEMBL6980238 0.84 ALDH1A1 (0.40) DRD2DRD3HTTHTR7
SCHEMBL7809132 0.81 DRD2 (0.38) SLC18A3DRD2DRD4DRD3SIGMAR1
SCHEMBL6981562 0.81 DRD2 (0.43) SLC18A3DRD2DRD4SIGMAR1HTR7
SCHEMBL7811043 0.81 DRD2 (0.43) SLC18A3DRD2DRD4SIGMAR1HTR7
SCHEMBL6981384 0.81 DRD2 (0.43) SLC18A3DRD2DRD4SIGMAR1HTR7
Fumaric Acid SCHEMBL9412812 0.80 SLC18A3 (0.37) SLC18A3DRD2DRD4DRD3SMN1; SMN2
Fumaric Acid SCHEMBL7802738 0.80 SLC18A3 (0.37) SLC18A3DRD2DRD4DRD3SMN1; SMN2
Fumaric Acid SCHEMBL7802740 0.80 SLC18A3 (0.37) SLC18A3DRD2DRD4DRD3SMN1; SMN2

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-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed