SCHEMBL5683574

SCHEMBL5683574

CCCC1CCc2c(ccc3c2CCC(CCc2ccc(OC(F)F)cc2)C3)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
S1PR1 P21453 2/20 0.34
SGPL1 O95470 2/20 0.34
DRD3 P35462 3/20 0.33
DRD2 P14416 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL5685252 0.85 IDO1 (0.35) CYP26A1S1PR1SGPL1DRD2CYP19A1
SCHEMBL5683468 0.83 SLC6A4 (0.40) HCRTR1HCRTR2DRD3DRD2CYP3A4
SCHEMBL8379992 0.83 MAOB (0.40)
SCHEMBL8379988 0.83 MAOB (0.40)
SCHEMBL5684585 0.82 MAOB (0.40) DRD3DRD2CYP3A4CYP2C8CYP2D6
SCHEMBL9061722 0.80 DRD1 (0.39)
SCHEMBL9061732 0.80 DRD1 (0.39)
SCHEMBL9260531 0.80 MAOB (0.38)
SCHEMBL5687467 0.80 DRD2 (0.45) DRD3DRD2CYP3A4CYP2C8CYP2D6
SCHEMBL5683876 0.79 DRD2 (0.48) DRD3DRD2CYP3A4CYP2C8CYP2D6

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
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed