SCHEMBL8766547

SCHEMBL8766547

CCCCC1CCC(c2cccc(C)c2)(c2cccc(C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
CYP1A2 P05177 1/20 0.37
HDAC4 P56524 1/20 0.35
HSD11B1 P28845 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRM2 Q14416 1/20 0.34
HSD11B2 P80365 1/20 0.34
OPRL1 P41146 1/20 0.34
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 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
SCHEMBL8766830 0.96 HTR2C (0.40) HTR2CHTR2ACYP1A2HDAC4HSD11B1
SCHEMBL8766925 0.94 GRM2 (0.40) HTR2CHTR2AHDAC4HSD11B1OPRM1
SCHEMBL8767231 0.94 GRM2 (0.40) HTR2CHTR2AHDAC4HSD11B1OPRM1
SCHEMBL8767267 0.94 GRM2 (0.40) HTR2CHTR2AHDAC4HSD11B1OPRM1
SCHEMBL8767236 0.91 HTR2C (0.42) HTR2CHTR2AHDAC4HSD11B1OPRM1
SCHEMBL8766350 0.86 HTR2C (0.45) HTR2CHTR2AHDAC4HSD11B1OPRM1
SCHEMBL8766392 0.84 HRH3 (0.37) CYP1A2OPRM1OPRK1OPRL1OPRD1
SCHEMBL8766501 0.84 HTR2A (0.40) HTR2CHTR2ACYP1A2OPRM1OPRK1
SCHEMBL8766440 0.83 HRH3 (0.39) CYP1A2OPRM1OPRK1OPRL1DRD2
SCHEMBL8094488 0.83 CYP1A2 (0.42) CYP1A2OPRM1OPRL1CHRM1CHRM2

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