SCHEMBL8093890

SCHEMBL8093890

CCC1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL8094316 0.86 OPRM1 (0.44) OPRM1KDM4EALDH1A1GAAMAPT
SCHEMBL8094488 0.83 CYP1A2 (0.42) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL12844042 0.82 OPRL1 (0.49) OPRM1KDM4EALDH1A1GAAMAPT
SCHEMBL25740959 0.82 OPRL1 (0.49) OPRM1KDM4EALDH1A1GAAMAPT
SCHEMBL8100549 0.82 OPRM1 (0.41) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL8086846 0.81 OPRM1 (0.40) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL8095900 0.81 OPRM1 (0.40) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL8087483 0.81 OPRM1 (0.40) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL8100835 0.81 OPRM1 (0.40) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL8101337 0.81 OPRM1 (0.40) OPRM1MEN1CYP2C9KMT2AGRIN2D

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