SCHEMBL18137125

SCHEMBL18137125

CC1CCC(C2CCC(CCC3CCc4cc(F)ccc4C3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A4 P31645 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
MCHR1 Q99705 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR3 Q99500 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 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
SCHEMBL18137140 0.96 HTR1D (0.48) HTR1DHTR1BSLC6A4DRD2DRD3
SCHEMBL18137121 0.92 HTR1D (0.45) HTR1DHTR1BSLC6A4DRD2DRD3
SCHEMBL18137130 0.85 MCHR1 (0.45) HTR1DHTR1BMCHR1CYP3A4CYP2C8
SCHEMBL6160107 0.85 HTR1D (0.55) HTR1DHTR1BSLC6A4DRD2DRD3
SCHEMBL6160101 0.85 HTR1D (0.55) HTR1DHTR1BSLC6A4DRD2DRD3
SCHEMBL18137134 0.83 HTR1D (0.48) HTR1DHTR1BHTR2AMCHR1PSEN1
SCHEMBL18137126 0.83 HTR1D (0.48) HTR1DHTR1BHTR2AMCHR1PSEN1
SCHEMBL14525843 0.80 HTR1D (0.52) HTR1DHTR1BSLC6A4DRD2DRD3
SCHEMBL14526575 0.80 HTR1D (0.52) HTR1DHTR1BSLC6A4DRD2DRD3
SCHEMBL18137139 0.79 DGAT1 (0.37) HTR1DHTR1BMCHR1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160298035-A1 COMPOSITE LIQUID CRYSTAL COMPOSITION, DISPLAY ELEMENT AND ELECTRIC FIELD DETECTOR DIC CORPORATION (JP) 2016-10-13 US disclosed