SCHEMBL8766487

SCHEMBL8766487

CCCCCC1CCC(c2cccc(CC)c2)(c2cccc(CC)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
OPRK1 P41145 3/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRD1 P41143 2/20 0.32
CYP1A2 P05177 2/20 0.32
KIF11 P52732 1/20 0.31

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
SCHEMBL8767096 0.99 KCNH2 (0.35) HRH3OPRK1OPRM1OPRL1KCNH2
SCHEMBL8766290 0.99 KCNH2 (0.35) HRH3OPRK1OPRM1OPRL1KCNH2
SCHEMBL8766518 0.99 KCNH2 (0.35) HRH3OPRK1OPRM1OPRL1KCNH2
SCHEMBL8766392 0.96 HRH3 (0.37) HRH3OPRK1OPRM1OPRL1DDB1
SCHEMBL8766347 0.90 CYP3A4 (0.36) HRH3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8766387 0.90 OPRK1 (0.39) HRH3OPRK1OPRM1OPRL1DDB1
SCHEMBL8767246 0.89 CYP3A4 (0.38) HRH3KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL8766430 0.89 CYP3A4 (0.38) HRH3KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL8766579 0.89 CYP3A4 (0.38) HRH3KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL8766440 0.86 HRH3 (0.39) HRH3OPRK1OPRM1OPRL1CYP3A4

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