SCHEMBL8766871

SCHEMBL8766871

CCCc1cccc(C2(c3cccc(CCC)c3)CCC(C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
NPY1R P25929 1/20 0.34
ACHE P22303 2/20 0.34
OPRM1 P35372 6/20 0.34
OPRD1 P41143 5/20 0.33
OPRK1 P41145 5/20 0.33
HTT P42858 1/20 0.33
KIF11 P52732 1/20 0.33
HRH3 Q9Y5N1 2/20 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
SCHEMBL8766400 0.88 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766539 0.87 HTT (0.37) NPY1RACHEOPRM1OPRD1OPRK1
SCHEMBL8766434 0.85 OPRK1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766440 0.82 HRH3 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766242 0.82 ESR1 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766347 0.81 CYP3A4 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8767246 0.80 CYP3A4 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766579 0.80 CYP3A4 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766430 0.80 CYP3A4 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8766953 0.75 CCR2 (0.42) ACHEOPRM1OPRD1OPRK1

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