SCHEMBL2882226

SCHEMBL2882226

CCCC1CCC(c2ccccc2-c2cccc(OCOC)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
OPRL1 P41146 6/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
NTSR1 P30989 4/20 0.34
PFKFB3 Q16875 1/20 0.34
KCNN4 O15554 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL2882229 0.84 CYP2C9 (0.40) OPRL1KCNN4
SCHEMBL17528224 0.84 CYP2C9 (0.35) OPRL1
SCHEMBL28426913 0.83 S1PR1 (0.34) DRD2HTR1DHTR1BHTR2C
SCHEMBL7209700 0.82 HTR1D (0.42) DRD2OPRL1HTR1DHTR1BHTR1A
SCHEMBL9639405 0.79 CYP2C9 (0.44) DRD2OPRL1SLC6A4
SCHEMBL4650755 0.79 CYP2C9 (0.44) DRD2OPRL1SLC6A4
SCHEMBL2888653 0.79 CYP2C9 (0.37) DRD2OPRL1SLC6A4
SCHEMBL8459048 0.78 OPRL1 (0.39) DRD2OPRL1SLC6A4
SCHEMBL4650914 0.78 OPRL1 (0.41) OPRL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL28003026 0.77 OPRL1 (0.40) OPRL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818384-B1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2010-07-14 EP disclosed
US-7740769-B2 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-06-22 US disclosed
US-20070187644-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2007-08-16 US disclosed
EP-1818384-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2007-08-15 EP disclosed