SCHEMBL8945008

SCHEMBL8945008

CCCCC1(Cc2ccc(N)cc2)CCCC(c2ccccc2C)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.32
HDAC4 P56524 1/20 0.31
HTR6 P50406 1/20 0.31
CYP19A1 P11511 5/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8945127 0.97 CYP19A1 (0.32) HTR2CHDAC4HTR6CYP19A1
SCHEMBL8945274 0.96 CYP19A1 (0.33) HTR2CHDAC4CYP19A1
SCHEMBL8945363 0.96 CYP19A1 (0.33) HTR2CHDAC4CYP19A1
SCHEMBL8945226 0.96 CYP19A1 (0.33) HTR2CHDAC4CYP19A1
SCHEMBL8945195 0.93 HTR2C (0.33) HTR2CHDAC4HTR6MEN1GAA
SCHEMBL8945404 0.89 HTR2C (0.35) HTR2CHDAC4HTR6
SCHEMBL8945021 0.88 HTR2C (0.38) HTR2CHDAC4HTR6CYP19A1
SCHEMBL8945139 0.84 HTR2C (0.38) HTR2CHDAC4HTR6CYP19A1
SCHEMBL8945379 0.83 HTR2C (0.37) HTR2CHTR6CYP19A1
SCHEMBL8945242 0.83 HTR2C (0.37) HTR2CHTR6CYP19A1

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