SCHEMBL5684111

SCHEMBL5684111

CCC/C=C/C1CCc2c(ccc3c2CCC(c2cc(F)cc(F)c2)C3)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 5/20 0.35
S1PR1 P21453 4/20 0.35
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
DRD2 P14416 6/20 0.33
DRD3 P35462 4/20 0.33
DRD1 P21728 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
SCHEMBL5684118 1.00 SGPL1 (0.35) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5683896 0.90 HTR1A (0.35) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5683905 0.90 HTR1A (0.35) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5683988 0.89 HTR1D (0.36) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5684009 0.89 HTR1D (0.36) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5683995 0.89 HTR1D (0.36) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5684003 0.89 HTR1D (0.36) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5684370 0.89 SGPL1 (0.35) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5684386 0.89 SGPL1 (0.35) SGPL1S1PR1HTR1AHTR7HTR1D
SCHEMBL5684375 0.89 SGPL1 (0.35) SGPL1S1PR1HTR1AHTR7HTR1D

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