SCHEMBL8766393

SCHEMBL8766393

Cc1ccccc1C1(c2ccccc2C)CCC(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
ACHE P22303 3/20 0.40
HDAC4 P56524 1/20 0.39
HSD11B1 P28845 1/20 0.36
HSD11B2 P80365 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE7A Q13946 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8766901 0.81 OPRM1 (0.42) OPRM1ACHEHDAC4HSD11B1HSD11B2
SCHEMBL29531177 0.80 ALDH1A1 (0.42) OPRM1ACHEHSD11B1CYP2C9CYP2C19
SCHEMBL8064834 0.80 ALDH1A1 (0.42) OPRM1ACHEHSD11B1CYP2C9CYP2C19
SCHEMBL8766307 0.78 HDAC4 (0.38) HDAC4HSD11B1HSD11B2CYP2C9CYP2C19
SCHEMBL8609713 0.77 HDAC4 (0.50) OPRM1ACHEHDAC4HSD11B1HSD11B2
SCHEMBL8766449 0.77 OPRM1 (0.40) OPRM1HDAC4HSD11B1HSD11B2CYP2C9
SCHEMBL8767265 0.76 HDAC4 (0.44) ACHEHDAC4CYP2C9CYP2C19PDE7A
SCHEMBL8766027 0.74 CHRM1 (0.42) OPRM1HDAC4CYP2C9CYP2C19TSHR
SCHEMBL8766324 0.73 CHRM1 (0.39) OPRM1
SCHEMBL8766538 0.73 ACHE (0.35) ACHEHDAC4CYP2C9CYP2C19PDE7A

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