SCHEMBL5686544

SCHEMBL5686544

CCCC=CC1CCc2c(ccc3c2CCC(c2ccc(C(F)(F)F)cc2)C3)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
HTR2C P28335 2/20 0.36
SGPL1 O95470 4/20 0.34
S1PR1 P21453 3/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL5686536 1.00 DRD2 (0.37) DRD2DRD3HTR2CSGPL1S1PR1
SCHEMBL5686551 1.00 DRD2 (0.37) DRD2DRD3HTR2CSGPL1S1PR1
SCHEMBL5686538 1.00 DRD2 (0.37) DRD2DRD3HTR2CSGPL1S1PR1
SCHEMBL5683732 0.91 HTR2C (0.38) DRD2DRD3HTR2CHTR1AHTR7
SCHEMBL5683729 0.91 HTR2C (0.38) DRD2DRD3HTR2CHTR1AHTR7
SCHEMBL5683739 0.91 HTR2C (0.38) DRD2DRD3HTR2CHTR1AHTR7
SCHEMBL5683746 0.91 HTR2C (0.38) DRD2DRD3HTR2CHTR1AHTR7
SCHEMBL5684370 0.88 SGPL1 (0.35) DRD2DRD3SGPL1S1PR1HTR1A
SCHEMBL5684375 0.88 SGPL1 (0.35) DRD2DRD3SGPL1S1PR1HTR1A
SCHEMBL5684386 0.88 SGPL1 (0.35) DRD2DRD3SGPL1S1PR1HTR1A

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