SCHEMBL8945420

SCHEMBL8945420

CCC1(Cc2ccc(N)cc2)CCC(c2ccccc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
HTR6 P50406 2/20 0.36
HDAC4 P56524 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
GSK3B P49841 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
TP53 P04637 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
HSD11B1 P28845 1/20 0.31
OPRL1 P41146 1/20 0.31
KCNH2 Q12809 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL8945208 0.91 HTR2C (0.40) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945021 0.89 HTR2C (0.38) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945139 0.88 HTR2C (0.38) HTR2CHTR6HDAC4OPRL1MMP2
SCHEMBL8945379 0.87 HTR2C (0.37) HTR2CHTR6HTR2AOPRL1MMP2
SCHEMBL8945242 0.87 HTR2C (0.37) HTR2CHTR6HTR2AOPRL1MMP2
SCHEMBL8945288 0.87 HTR2C (0.37) HTR2CHTR6HTR2AOPRL1MMP2
SCHEMBL8945404 0.85 HTR2C (0.35) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945217 0.84 HTR2C (0.43) HTR2CHTR6HDAC4HTR2AHTR2B
SCHEMBL8945195 0.78 HTR2C (0.33) HTR2CHTR6HDAC4
SCHEMBL8945239 0.77 HTR2C (0.43) HTR2CHTR2AHTR2BTAAR1

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