SCHEMBL8766320

SCHEMBL8766320

CCCCCC1CCC(c2ccccc2F)(c2ccccc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CYP1A2 P05177 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRL1 P41146 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.32
NR5A2 O00482 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
SCHEMBL8766039 0.99 GRM2 (0.39) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8767278 0.99 GRM2 (0.39) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8767014 0.99 GRM2 (0.39) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8766881 0.95 CYP1A2 (0.38) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8766611 0.89 HDAC4 (0.36) HRH3OPRL1OPRM1
SCHEMBL8766485 0.84 KDM4E (0.38) OPRL1OPRM1
SCHEMBL8766324 0.84 CHRM1 (0.39) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8765885 0.82 CHRM1 (0.38) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8766477 0.82 HDAC4 (0.38) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8766470 0.82 CHRM1 (0.38) GRM2CHRM2CHRM4CHRM5CHRM1

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