SCHEMBL2204339

SCHEMBL2204339

CCCN(CCC)CCCCN(Cc1ccc(C#N)cc1)c1ccccc1COC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.37
BCHE P06276 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SNCA P37840 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2201939 0.88 BCHE (0.35) BCHEALDH1A1
SCHEMBL2201883 0.77 RORC (0.32) RORCSIGMAR1TMEM97MEN1KMT2A
SCHEMBL1636483 0.74 RORC (0.51) RORCLTB4R2BCHENPC1MEN1
SCHEMBL2204341 0.71 RORC (0.47) RORCLTB4R2BCHESIGMAR1TMEM97
SCHEMBL2201240 0.71 RORC (0.53) RORC
SCHEMBL2204055 0.71 RORC (0.47) RORCLTB4R2
SCHEMBL12509866 0.70 RORC (0.47) RORCLTB4R2BCHE
SCHEMBL12509950 0.69 RORC (0.46) RORC
SCHEMBL1638260 0.69 HDAC3 (0.45) RORCLTB4R2SNCA
SCHEMBL2203028 0.69 RORC (0.53) RORCLTB4R2BCHE

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