SCHEMBL2204341

SCHEMBL2204341

CCCN(CCC)CCCCN(Cc1ccc(C#N)cc1)C(OC(C)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SNCA P37840 2/20 0.37
OPRK1 P41145 1/20 0.37
BCHE P06276 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2201941 0.87 RORC (0.37) RORCBCHEMEN1KMT2AACHE
SCHEMBL2201884 0.76 SLC6A9 (0.35) RORCSIGMAR1TMEM97BCHEMEN1
SCHEMBL2203028 0.73 RORC (0.53) RORCLTB4R2BCHEACHE
SCHEMBL2201240 0.72 RORC (0.53) RORC
SCHEMBL2204339 0.71 RORC (0.43) RORCLTB4R2SIGMAR1TMEM97SNCA
SCHEMBL2200590 0.71 RORC (0.34) RORCKMT2A
SCHEMBL1636483 0.71 RORC (0.51) RORCLTB4R2BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL2202811 0.70 KMT2A (0.34) RORCKMT2A
SCHEMBL2203823 0.70 BCHE (0.38) RORCBCHEACHE
SCHEMBL2203829 0.70 BCHE (0.38) RORCBCHEACHE

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