SCHEMBL8766329

SCHEMBL8766329

CCCCC1CCC(c2ccccc2CC)(c2ccccc2CC)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
CYP1A2 P05177 2/20 0.38
CHRM1 P11229 4/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
DRD2 P14416 3/20 0.36
CHRM3 P20309 3/20 0.36
DRD4 P21917 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD3 P35462 2/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL8766477 0.95 HDAC4 (0.38) HDAC4CYP1A2CHRM1CHRM2CHRM4
SCHEMBL8766110 0.94 HDAC4 (0.38) HDAC4CYP1A2CHRM1CHRM2CHRM4
SCHEMBL8766390 0.94 HDAC4 (0.38) HDAC4CYP1A2CHRM1CHRM2CHRM4
SCHEMBL8767261 0.94 HDAC4 (0.38) HDAC4CYP1A2CHRM1CHRM2CHRM4
SCHEMBL8766466 0.91 HDAC4 (0.44) HDAC4CHRM1CHRM2CHRM4CHRM5
SCHEMBL8766372 0.90 HRH3 (0.38) CYP1A2CHRM1CHRM2CHRM4CHRM5
SCHEMBL8765847 0.85 HDAC4 (0.44) HDAC4CYP2D6KMT2AMEN1GAA
SCHEMBL8766367 0.85 BCHE (0.35) CYP1A2CHRM1CHRM2CHRM4CHRM5
SCHEMBL8766504 0.84 LIPG (0.36) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766507 0.84 LIPG (0.36) CHRM1CHRM2CHRM4CHRM5DRD2

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