SCHEMBL5836080

SCHEMBL5836080

CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccccc3OC(F)(F)F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.40
DRD2 P14416 2/20 0.38
HTR2C P28335 2/20 0.37
HCRTR1 O43613 2/20 0.37
PROKR1 Q8TCW9 1/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5836076 1.00 HCRTR2 (0.40) HCRTR2DRD2HTR2CHCRTR1PROKR1
SCHEMBL5836573 0.90 DRD2 (0.40) HCRTR2DRD2HTR2CHCRTR1PROKR1
SCHEMBL5836563 0.90 DRD2 (0.40) HCRTR2DRD2HTR2CHCRTR1PROKR1
SCHEMBL5836958 0.88 ALOX5AP (0.35) HCRTR2DRD2HTR2CHCRTR1HTR1A
SCHEMBL8726207 0.88 HCRTR2 (0.39) HCRTR2DRD2HTR2CHCRTR1PROKR1
SCHEMBL5836960 0.88 ALOX5AP (0.35) HCRTR2DRD2HTR2CHCRTR1HTR1A
SCHEMBL8726210 0.88 HCRTR2 (0.39) HCRTR2DRD2HTR2CHCRTR1PROKR1
SCHEMBL5836955 0.88 ALOX5AP (0.35) HCRTR2DRD2HTR2CHCRTR1HTR1A
SCHEMBL8726254 0.87 HCRTR2 (0.38) HCRTR2DRD2HTR2CHCRTR1PROKR1
SCHEMBL8726255 0.87 HCRTR2 (0.38) HCRTR2DRD2HTR2CHCRTR1PROKR1

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-7045176-B2 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-05-16 US disclosed
US-20040119051-A1 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. 2004-06-24 US disclosed
US-5753142-A Nematic liquid-crystal composition for active matrix application MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed