SCHEMBL8726255

SCHEMBL8726255

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.38
DRD2 P14416 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HCRTR1 O43613 2/20 0.34
PROKR1 Q8TCW9 1/20 0.34
HTR2C P28335 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 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
SCHEMBL8726254 1.00 HCRTR2 (0.38) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL8726210 0.96 HCRTR2 (0.39) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL8726207 0.96 HCRTR2 (0.39) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL5836573 0.91 DRD2 (0.40) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL5836563 0.91 DRD2 (0.40) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL5836080 0.87 HCRTR2 (0.40) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL5836076 0.87 HCRTR2 (0.40) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL7913981 0.81 DRD2 (0.35) HCRTR2DRD2HTR1DHTR1BDRD1
SCHEMBL8729394 0.80 HCRTR2 (0.36) HCRTR2DRD2DRD1DRD4DRD5
SCHEMBL15256110 0.79 GAA (0.39) DRD2DRD3GAAMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753142-A Nematic liquid-crystal composition for active matrix application MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed
EP-0406468-B1 NEMATIC-LIQUID-CRYSTAL COMPOSITION FOR ACTIVE MATRIX APPLICATION SHARP CORPORATION (JP) 1992-10-21 EP disclosed