SCHEMBL8945217

SCHEMBL8945217

Cc1ccccc1C1CCC(C)(Cc2ccc(N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR6 P50406 2/20 0.38
HDAC4 P56524 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
GSK3B P49841 1/20 0.33
OPRL1 P41146 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HSD11B1 P28845 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8945209 0.84 HTR2C (0.36) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945420 0.84 HTR2C (0.41) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945160 0.84 HTR6 (0.36) HTR6HDAC4GSK3BMAOAMAOB
SCHEMBL8945208 0.83 HTR2C (0.40) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945021 0.81 HTR2C (0.38) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945139 0.80 HTR2C (0.38) HTR2CHTR6HDAC4OPRL1
SCHEMBL8945288 0.79 HTR2C (0.37) HTR2CHTR6HTR2AOPRL1
SCHEMBL8945379 0.79 HTR2C (0.37) HTR2CHTR6HTR2AOPRL1
SCHEMBL8945242 0.79 HTR2C (0.37) HTR2CHTR6HTR2AOPRL1
SCHEMBL8945265 0.76 HTR6 (0.36) HTR2CHTR6HTR2AHTR2BGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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