SCHEMBL5684386

SCHEMBL5684386

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 5/20 0.35
S1PR1 P21453 4/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
DRD2 P14416 7/20 0.34
DRD3 P35462 4/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
DRD1 P21728 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL5684392 1.00 SGPL1 (0.35) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5684375 1.00 SGPL1 (0.35) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5684370 1.00 SGPL1 (0.35) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5683421 0.90 HTR1A (0.34) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5683423 0.90 HTR1A (0.34) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5683414 0.90 HTR1A (0.34) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5683417 0.90 HTR1A (0.34) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5684111 0.89 SGPL1 (0.35) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5684118 0.89 SGPL1 (0.35) SGPL1S1PR1HTR1DHTR1BDRD2
SCHEMBL5686544 0.88 DRD2 (0.37) SGPL1S1PR1HTR1DHTR1BDRD2

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