SCHEMBL8766910

SCHEMBL8766910

CCCC1CCC(c2cccc(F)c2)(c2cccc(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
OPRM1 P35372 5/20 0.42
OPRL1 P41146 5/20 0.42
OPRK1 P41145 1/20 0.42
KDM1A O60341 3/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 3/20 0.41
RCOR1 Q9UKL0 1/20 0.35
HSD11B1 P28845 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HSD11B2 P80365 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
SCHEMBL8766501 0.91 HTR2A (0.40) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL8767227 0.90 SLC6A4 (0.42) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL8766534 0.89 HTR2A (0.45) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL8765866 0.89 GRM2 (0.41) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL8766445 0.89 GRM2 (0.41) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL8766453 0.89 GRM2 (0.41) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL20684441 0.87 HTR2A (0.41) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL2856214 0.85 OPRL1 (0.54) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL8767236 0.83 HTR2C (0.42) HTR2AHTR2COPRM1OPRL1OPRK1
SCHEMBL8766387 0.82 OPRK1 (0.39) OPRM1OPRL1OPRK1

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