SCHEMBL2458385

SCHEMBL2458385

NCCCC(N)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 5/20 0.33
CPB2 Q96IY4 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
Bromide SCHEMBL28096064 0.90 F2RL1 (0.35) F2RL1ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL28096061 0.81 FPR2 (0.34) F2RL1
SCHEMBL9659674 0.80 ADRA2A (0.36) F2RL1ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL2929069 0.79 FPR2 (0.41) F2RL1ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL7421789 0.79 FPR2 (0.41) F2RL1ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL4783878 0.75 CPB2 (0.40) CPB2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL1306359 0.75
SCHEMBL7416391 0.75
SCHEMBL8977559 0.74 F2RL1 (0.31) F2RL1ADRA2AADRA2BADRA2C
SCHEMBL9315694 0.74 TBXAS1 (0.44) ADRA2AADRA2BADRA2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542632-A1 ACTIVE RAY CURABLE INK COMPOSITION, ACTIVE RAY CURABLE INKJET INK COMPOSITION AND PRINTING METHOD USING THE SAME Ricoh Company, Ltd. (JP) 2013-01-09 EP disclosed
WO-2011108757-A1 ACTIVE RAY CURABLE INK COMPOSITION, ACTIVE RAY CURABLE INKJET INK COMPOSITION AND PRINTING METHOD USING THE SAME RICOH COMPANY, LTD. (JP) 2011-09-09 WO disclosed