SCHEMBL2201883

SCHEMBL2201883

CCCN(CCC)CCCCN(Cc1ccc(C/N=C/c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1COC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
ACHE P22303 1/20 0.31
NR3C1 P04150 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA2 P00918 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL12426460 0.79 BCHE (0.37) RORCMEN1KMT2AGRIN1GRIN2B
SCHEMBL2201939 0.78 BCHE (0.35) CA2
SCHEMBL2201884 0.77 SLC6A9 (0.35) RORCACHEMEN1KMT2AGRIN1
SCHEMBL2204339 0.77 RORC (0.43) RORCMEN1KMT2ATMEM97SIGMAR1
SCHEMBL12509871 0.76 RORC (0.37) RORCACHE
SCHEMBL2203825 0.74 TSHR (0.44) RORCACHECA2
SCHEMBL4954388 0.72 CA2 (0.38) RORCACHEKMT2ACA2GRIN1
SCHEMBL4954391 0.72 CA2 (0.38) RORCACHEKMT2ACA2GRIN1
SCHEMBL4951871 0.72 CA2 (0.38) RORCACHECA2GRIN1GRIN2B
SCHEMBL2200325 0.70 MAOA (0.40) ACHE

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-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed