SCHEMBL8766539

SCHEMBL8766539

CCc1cccc(C2(c3cccc(CC)c3)CCC(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPY1R P25929 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TP53 P04637 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
ICMT O60725 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MGLL Q99685 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
SCHEMBL8766871 0.87 DRD2 (0.41) HTTNPY1RACHEOPRM1OPRD1
SCHEMBL8767257 0.87 SMN1; SMN2 (0.36) SMN1; SMN2DDB1CRBNHCAR3HCAR2
SCHEMBL8766387 0.83 OPRK1 (0.39) SMN1; SMN2DDB1CRBNHCAR3HCAR2
SCHEMBL8766459 0.81 ESR1 (0.43) HCAR3HCAR2ACHETP53L3MBTL1
SCHEMBL8766392 0.80 HRH3 (0.37) SMN1; SMN2DDB1CRBNHCAR3HCAR2
SCHEMBL8766487 0.79 HRH3 (0.34) SMN1; SMN2DDB1CRBNHCAR3HCAR2
SCHEMBL8766518 0.78 KCNH2 (0.35) DDB1CRBNHCAR3HCAR2SIGMAR1
SCHEMBL8767096 0.78 KCNH2 (0.35) DDB1CRBNHCAR3HCAR2SIGMAR1
SCHEMBL8766290 0.78 KCNH2 (0.35) DDB1CRBNHCAR3HCAR2SIGMAR1
SCHEMBL8766953 0.77 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