SCHEMBL8945227

SCHEMBL8945227

CCC1(Cc2ccc(N)cc2)CCCCC1c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
GSK3B P49841 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
PRCP P42785 1/20 0.30
PDE4A P27815 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
SCHEMBL8945071 0.91 SLC10A2 (0.33) HTR6NOS3NOS1NOS2ALDH1A1
SCHEMBL8945039 0.89 SLC10A2 (0.35) HTR6GSK3BNOS3NOS1NOS2
SCHEMBL8945145 0.88 SLC10A2 (0.33) HTR6GSK3B
SCHEMBL8944930 0.87 KDM1A (0.44) HTR6GSK3BNOS3NOS1NOS2
SCHEMBL8945125 0.87 GSK3B (0.34) HTR6GSK3BALDH1A1
SCHEMBL8945347 0.87 CYP19A1 (0.33) HTR6HTR2CHTR2A
SCHEMBL8945247 0.87 CYP19A1 (0.33) HTR6HTR2CHTR2A
SCHEMBL8945330 0.87 CYP19A1 (0.33) HTR6HTR2CHTR2A
SCHEMBL8945269 0.85 HTR6 (0.32) HTR6GSK3B
SCHEMBL8945265 0.84 HTR6 (0.36) HTR6GSK3BNOS3NOS1NOS2

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