SCHEMBL8945209

SCHEMBL8945209

Cc1ccccc1C1CCCC(C)(Cc2ccc(N)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR6 P50406 2/20 0.35
HDAC4 P56524 1/20 0.34
TRPA1 O75762 1/20 0.33
HSD11B1 P28845 1/20 0.32
CXCR3 P49682 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
GSK3B P49841 1/20 0.31
OPRL1 P41146 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL8945217 0.84 HTR2C (0.43) HTR2CHTR6HDAC4HSD11B1HTR2A
SCHEMBL8945404 0.83 HTR2C (0.35) HTR2CHTR6HDAC4HSD11B1HTR2A
SCHEMBL8945195 0.81 HTR2C (0.33) HTR2CHTR6HDAC4
SCHEMBL8945008 0.79 HTR2C (0.32) HTR2CHTR6HDAC4
SCHEMBL8945127 0.78 CYP19A1 (0.32) HTR2CHTR6HDAC4
SCHEMBL8945363 0.78 CYP19A1 (0.33) HTR2CHDAC4HTR2A
SCHEMBL8945274 0.78 CYP19A1 (0.33) HTR2CHDAC4HTR2A
SCHEMBL8945226 0.78 CYP19A1 (0.33) HTR2CHDAC4HTR2A
SCHEMBL8945420 0.74 HTR2C (0.41) HTR2CHTR6HDAC4HSD11B1HTR2A
SCHEMBL8945265 0.74 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