SCHEMBL14229191

SCHEMBL14229191

CCCCN(CCC)c1ncc(CCC)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
AOC3 Q16853 1/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 2/20 0.33
NFKB1 P19838 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL14230156 0.96 SMN1; SMN2 (0.35) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL14229386 0.93 NFKB1 (0.39) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL14229720 0.89 NFKB1 (0.41) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL14230204 0.87 MAPT (0.35) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL14200678 0.85 NPC1 (0.30) SMN1; SMN2NPC1RAB9AHTTNCOA1
SCHEMBL19891748 0.85 AOC3 (0.33) SMN1; SMN2MAPTHTTNCOA1NCOA3
SCHEMBL14229404 0.83 HTT (0.36) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL14200754 0.81 MAPT (0.34) SMN1; SMN2MAPTNPC1RAB9AAOC3
SCHEMBL18924521 0.81 CRHR1 (0.33) SMN1; SMN2MAPTHTTNCOA1NCOA3
SCHEMBL14200715 0.79 NFKB1 (0.35) SMN1; SMN2MAPTNPC1RAB9AHTT

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed