SCHEMBL8766211

SCHEMBL8766211

Fc1ccccc1C1(c2ccccc2F)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.53
HSD11B2 P80365 1/20 0.53
HDAC4 P56524 3/20 0.50
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PDE7A Q13946 1/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 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
SCHEMBL6838754 0.83 ALDH1A1 (0.42) PDE7ASLC6A4SLC6A3
SCHEMBL1255414 0.82 ESR1 (0.61) HSD11B1HSD11B2HDAC4PSEN1PSEN2
SCHEMBL1257322 0.82 ESR1 (0.61) HSD11B1HSD11B2HDAC4PSEN1PSEN2
SCHEMBL18037034 0.79 HDAC4 (0.42) HSD11B1HSD11B2HDAC4PSEN1PSEN2
SCHEMBL11840369 0.78 OPRM1 (0.54) HSD11B1HSD11B2HDAC4PSEN1PSEN2
SCHEMBL17982792 0.78 HDAC4 (0.47) HDAC4
SCHEMBL1256628 0.78 ESR1 (0.47) HSD11B1HSD11B2HDAC4PSEN1PSEN2
SCHEMBL9729622 0.77 MEN1 (0.53) HSD11B1HSD11B2HDAC4PSEN1PSEN2
SCHEMBL5894861 0.76 PGR (0.46)
SCHEMBL29919493 0.76 PGR (0.46)

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