SCHEMBL13748874

SCHEMBL13748874

NCCCN(CCCN)CCCCCN(CCCN)CCCN

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
DNM1 Q05193 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
LCK P06239 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL15591978 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL2403123 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL715461 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL711967 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL15591996 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL2402964 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL13748877 0.97 CHRM2 (0.48) CHRM2DNM1CA12CA1CA2
SCHEMBL817873 0.97 CHRM2 (0.55) CHRM2DNM1CA12CA1CA2
SCHEMBL15591989 0.97 CHRM2 (0.48) CHRM2DNM1CA12CA1CA2
SCHEMBL560600 0.97 CHRM2 (0.55) CHRM2DNM1CA12CA1CA2

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
WO-2009097127-A1 PHARMACEUTICAL COMPOSITIONS GENZYME CORPORATION (US) 2009-08-06 WO disclosed