SCHEMBL8765862

SCHEMBL8765862

CCCC=C1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 7/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.34
OPRL1 P41146 3/20 0.34
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL3413046 0.82 OPRL1 (0.55) OPRM1OPRL1OPRK1
SCHEMBL3628640 0.72 OPRM1 (0.50) MEN1CYP2C9KMT2AOPRM1GRIN2D
SCHEMBL19169754 0.68 OPRL1 (0.58) OPRM1OPRL1OPRK1
SCHEMBL2256575 0.67 OPRM1 (0.67) MEN1CYP2C9KMT2AOPRM1GRIN2D
SCHEMBL2256573 0.67 OPRM1 (0.67) MEN1CYP2C9KMT2AOPRM1GRIN2D
SCHEMBL4506489 0.67 SIGMAR1 (0.53) DRD4LMNA
SCHEMBL13597024 0.66 OPRM1 (0.49) MEN1CYP2C9KMT2AOPRM1CHRM2
SCHEMBL27143448 0.66
Bromide SCHEMBL28969840 0.65 OPRM1 (0.64) MEN1CYP2C9KMT2AOPRM1GRIN2D
Ammonia Solution, Strong SCHEMBL1158702 0.65 OPRM1 (0.64) MEN1CYP2C9KMT2AOPRM1GRIN2D

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