SCHEMBL8945333

SCHEMBL8945333

CC1(Cc2ccc(N)cc2)CCCCC1c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
RCOR1 Q9UKL0 1/20 0.41
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
HTR6 P50406 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK1 P28482 1/20 0.32
PRCP P42785 1/20 0.32
GSK3B P49841 1/20 0.32
PDE4A P27815 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
EPHX1 P07099 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
SCHEMBL8945265 0.86 HTR6 (0.36) NOS3NOS1NOS2HTR6ALDH1A1
SCHEMBL8944930 0.84 KDM1A (0.44) KDM1ARCOR1NOS3NOS1NOS2
SCHEMBL8945308 0.82 KDM1A (0.40) KDM1ARCOR1NOS3NOS1NOS2
SCHEMBL8945096 0.81 HTR6 (0.33) HTR6ALDH1A1MAPK1MAOAMAOB
SCHEMBL8945227 0.70 HTR6 (0.34) NOS3NOS1NOS2HTR6ALDH1A1
SCHEMBL8945125 0.69 GSK3B (0.34) HTR6KDM4EALDH1A1MAPK1GSK3B
SCHEMBL8945071 0.68 SLC10A2 (0.33) NOS3NOS1NOS2HTR6ALDH1A1
SCHEMBL8945087 0.68 SLC10A2 (0.35) HTR6KDM4EMAPK1GSK3BEPHX1
SCHEMBL8945269 0.68 HTR6 (0.32) HTR6GSK3B
SCHEMBL8945039 0.67 SLC10A2 (0.35) NOS3NOS1NOS2HTR6GSK3B

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