SCHEMBL5684064

SCHEMBL5684064

CCC=CC1CCc2c(ccc3c2CCC(c2ccc(OC(F)(F)F)cc2)C3)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HTR2A P28223 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CETP P11597 1/20 0.30
GRM7 Q14831 1/20 0.30
SGPL1 O95470 3/20 0.30
S1PR1 P21453 2/20 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
SCHEMBL5684057 1.00 L3MBTL1 (0.37) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5684069 1.00 L3MBTL1 (0.37) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5684060 1.00 L3MBTL1 (0.37) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5684726 0.91 L3MBTL1 (0.36) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5884882 0.91 L3MBTL1 (0.36) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5684728 0.91 L3MBTL1 (0.36) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5884877 0.91 L3MBTL1 (0.36) L3MBTL1KDM1ARCOR1HTR2AHCRTR1
SCHEMBL5684041 0.87 L3MBTL1 (0.39) L3MBTL1KDM1ARCOR1HTR2AALDH1A1
SCHEMBL5684032 0.87 L3MBTL1 (0.39) L3MBTL1KDM1ARCOR1HTR2AALDH1A1
SCHEMBL5684037 0.87 L3MBTL1 (0.39) L3MBTL1KDM1ARCOR1HTR2AALDH1A1

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