SCHEMBL5078140

SCHEMBL5078140

NCCCCCCN(CCCCCCN)C(N)CCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
DNM1 Q05193 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
GSR P00390 1/20 0.37
NFKB1 P19838 1/20 0.33
CPB2 Q96IY4 2/20 0.32
RNPEP Q9H4A4 1/20 0.31

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
SCHEMBL26131309 0.85 GSR (0.38) CHRM2DNM1CA12CA1CA2
SCHEMBL3060071 0.82 CHRM2 (0.39) CHRM2DNM1TSHRGSRNFKB1
SCHEMBL27979638 0.81 GSR (0.35) CHRM2DNM1CA12CA1CA2
SCHEMBL1605060 0.80 PLA2G1B (0.47) DNM1TSHR
SCHEMBL15477624 0.79 PLA2G1B (0.50) DNM1LMNABLM
SCHEMBL6908178 0.79 PLA2G1B (0.50) DNM1LMNABLM
SCHEMBL11345525 0.79 CHRM2 (0.41) CHRM2DNM1CA12CA1CA2
SCHEMBL28928346 0.77 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL1448309 0.77 DNM1 (0.39) DNM1TSHR
SCHEMBL27863177 0.76 GSR (0.37) DNM1TSHRGSRNFKB1

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-20080214701-A1 Fibers and a Pet Liquid Container BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed