SCHEMBL373983

SCHEMBL373983

CN(C)c1ccc(-c2cc3ncccc3c(NCCC[N+]3([O-])CCCC3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.72
TXK P42681 1/20 0.68
KARS1 Q15046 1/20 0.68
SLK Q9H2G2 1/20 0.68

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
SCHEMBL3772545 0.84 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL373985 0.82 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL373973 0.82 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL373922 0.81 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL374047 0.81 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL373569 0.81 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL373791 0.80 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL27764191 0.80 SYK (0.80) SYKTXKKARS1SLK
SCHEMBL590059 0.77 SYK (0.65) SYKTXKKARS1SLK
SCHEMBL373950 0.76 SYK (0.69) SYKTXKKARS1SLK

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
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed