SCHEMBL8766027

SCHEMBL8766027

CCCCC1CCC(c2ccccc2C)(c2ccccc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
DRD2 P14416 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD4 P21917 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HRH1 P35367 1/20 0.42
CYP1A2 P05177 2/20 0.39
OPRM1 P35372 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
CCR5 P51681 6/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 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
SCHEMBL8766324 0.95 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8765885 0.94 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766915 0.94 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766470 0.94 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766449 0.90 OPRM1 (0.40) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766901 0.85 OPRM1 (0.42) OPRM1GAAMAPTHPGDTSHR
SCHEMBL8766329 0.83 HDAC4 (0.39) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766881 0.83 CYP1A2 (0.38) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766372 0.82 HRH3 (0.38) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL8766477 0.79 HDAC4 (0.38) 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