SCHEMBL5316004

SCHEMBL5316004

Cc1nc(-c2ccc(-c3ccc(CC(N)CN)cc3)cc2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SCN5A Q14524 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 1/20 0.43
AOC3 Q16853 2/20 0.43
MPO P05164 1/20 0.43
TPH1 P17752 6/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
S1PR1 P21453 2/20 0.39

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
SCHEMBL5228408 0.87 CA12 (0.44) CA12CA1CA2CA9SCN5A
SCHEMBL8252393 0.80 S1PR1 (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL15307622 0.80 L3MBTL1 (0.58) CA12CA1CA2CA9L3MBTL1
Hydrochloric Acid SCHEMBL21683293 0.79 L3MBTL1 (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL31524131 0.78 TPH1 (0.67) PLK1TPH1LMNATSHRNFKB1
SCHEMBL19941493 0.77 CA12 (0.54) CA12CA1CA2CA9L3MBTL1
SCHEMBL19112036 0.77 PLK1 (0.49) CA12CA1CA2CA9L3MBTL1
SCHEMBL13415301 0.76 L3MBTL1 (0.69) CA12CA1CA2CA9L3MBTL1
SCHEMBL14210018 0.75 PLK1 (0.55) CA12CA1CA2CA9L3MBTL1
SCHEMBL8436680 0.75 MAPT (0.61) CA12CA1CA2CA9L3MBTL1

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-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed