SCHEMBL8094488

SCHEMBL8094488

CCCCC1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
OPRM1 P35372 6/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
OPRL1 P41146 3/20 0.41
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8100549 0.95 OPRM1 (0.41) CYP1A2OPRM1CHRM2CHRM1GRIN2D
SCHEMBL8098557 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8101902 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8095900 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8101337 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8087483 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8100835 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8086846 0.93 OPRM1 (0.40) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL8094316 0.89 OPRM1 (0.44) OPRM1CHRM2CHRM1GRIN2DGRIN3B
SCHEMBL28003941 0.84 DPP4 (0.38) CYP1A2OPRM1CHRM2CHRM1GRIN2D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
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
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 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