SCHEMBL8744074

SCHEMBL8744074

COC1CCC(=Nc2cccc(C)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
MAPT P10636 3/20 0.36
ACHE P22303 2/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8743971 0.82 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8744006 0.82 DPP4 (0.39) TDP1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8743991 0.81 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8743959 0.81 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8743979 0.80 ALOX5 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8744009 0.78 MEN1 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16620267 0.77 SMN1; SMN2 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8743975 0.76 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18395323 0.75 MAPT (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8743983 0.72 CA12 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618980-A DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 US disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 EP disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 EP disclosed