SCHEMBL8766501

SCHEMBL8766501

CCCCC1CCC(c2cccc(F)c2)(c2cccc(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 2/20 0.40
KDM1A O60341 3/20 0.40
CYP1A2 P05177 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
OPRK1 P41145 1/20 0.36
GRM2 Q14416 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RCOR1 Q9UKL0 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
SCHEMBL8767227 0.96 SLC6A4 (0.42) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8765866 0.94 GRM2 (0.41) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8766445 0.94 GRM2 (0.41) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8766453 0.94 GRM2 (0.41) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8766910 0.91 HTR2A (0.42) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8766534 0.86 HTR2A (0.45) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8766547 0.84 HTR2C (0.40) HTR2AHTR2CSLC6A3SLC6A2CYP1A2
SCHEMBL8766392 0.83 HRH3 (0.37) CYP1A2OPRM1OPRL1OPRK1
SCHEMBL1812661 0.82 OPRL1 (0.46) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL8766440 0.82 HRH3 (0.39) CYP1A2OPRM1OPRL1OPRK1

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