SCHEMBL8767227

SCHEMBL8767227

CCCCCC1CCC(c2cccc(F)c2)(c2cccc(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GRM2 Q14416 1/20 0.39
KDM1A O60341 3/20 0.39
OPRM1 P35372 3/20 0.35
OPRL1 P41146 2/20 0.35
OPRK1 P41145 1/20 0.35
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
TLR8 Q9NR97 1/20 0.34
RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL8766445 0.99 GRM2 (0.41) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL8765866 0.99 GRM2 (0.41) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL8766453 0.99 GRM2 (0.41) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL8766501 0.96 HTR2A (0.40) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL8766910 0.90 HTR2A (0.42) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL1812661 0.86 OPRL1 (0.46) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL2858683 0.85 OPRL1 (0.45) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL8766534 0.85 HTR2A (0.45) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL8766830 0.84 HTR2C (0.40) SLC6A3SLC6A2HTR2AHTR2CGRM2
SCHEMBL8766925 0.83 GRM2 (0.40) HTR2AHTR2CGRM2OPRM1OPRL1

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-0601813-B1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed
US-5382688-A Diamino compounds and their production method CHISSO CORPORATION (JP) 1995-01-17 US disclosed
EP-0601813-A1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1994-06-15 EP disclosed