SCHEMBL8766449

SCHEMBL8766449

CCCC1CCC(c2ccccc2C)(c2ccccc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
HDAC4 P56524 1/20 0.37
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
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
CYP2C9 P11712 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
SCHEMBL8766027 0.90 CHRM1 (0.42) OPRM1HDAC4CHRM1CHRM2CHRM4
SCHEMBL8766324 0.89 CHRM1 (0.39) OPRM1CHRM1CHRM2CHRM4HTR1A
SCHEMBL8766901 0.88 OPRM1 (0.42) OPRM1HDAC4HSD11B1HSD11B2OPRK1
SCHEMBL8766915 0.88 CHRM1 (0.38) OPRM1CHRM1CHRM2CHRM4HTR1A
SCHEMBL8765885 0.88 CHRM1 (0.38) OPRM1CHRM1CHRM2CHRM4HTR1A
SCHEMBL8766470 0.88 CHRM1 (0.38) OPRM1CHRM1CHRM2CHRM4HTR1A
SCHEMBL8766611 0.82 HDAC4 (0.36) OPRM1HDAC4HRH3HSD11B1HSD11B2
SCHEMBL8766466 0.82 HDAC4 (0.44) OPRM1HDAC4CHRM1CHRM2CHRM4
SCHEMBL8767206 0.81 HRH3 (0.35) OPRM1HDAC4HRH3HSD11B1CYP2C9
SCHEMBL8094316 0.77 OPRM1 (0.44) OPRM1CHRM1CHRM2DRD4HRH3

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