SCHEMBL8767267

SCHEMBL8767267

CCCCCCC1CCC(c2cccc(C)c2)(c2cccc(C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 2/20 0.34
HDAC4 P56524 1/20 0.33
HSD11B1 P28845 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
S1PR3 Q99500 2/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HSD11B2 P80365 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GPX4 P36969 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
CYP2D6 P10635 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
SCHEMBL8766925 1.00 GRM2 (0.40) GRM2HTR2CHTR2AOPRM1HDAC4
SCHEMBL8767231 1.00 GRM2 (0.40) GRM2HTR2CHTR2AOPRM1HDAC4
SCHEMBL8766830 0.99 HTR2C (0.40) GRM2HTR2CHTR2AOPRM1HDAC4
SCHEMBL8766547 0.94 HTR2C (0.40) GRM2HTR2CHTR2AOPRM1HDAC4
SCHEMBL8767236 0.88 HTR2C (0.42) HTR2CHTR2AOPRM1HDAC4HSD11B1
SCHEMBL8766445 0.85 GRM2 (0.41) GRM2HTR2CHTR2AOPRM1OPRK1
SCHEMBL8767096 0.85 KCNH2 (0.35) OPRM1CYP3A4CYP2C8S1PR3OPRK1
SCHEMBL8765866 0.85 GRM2 (0.41) GRM2HTR2CHTR2AOPRM1OPRK1
SCHEMBL8766518 0.85 KCNH2 (0.35) OPRM1CYP3A4CYP2C8S1PR3OPRK1
SCHEMBL8766453 0.85 GRM2 (0.41) GRM2HTR2CHTR2AOPRM1OPRK1

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