SCHEMBL7490449

SCHEMBL7490449

CCCC(=O)O[C@H](C)c1nccc(N2CCN(c3ccnc(-n4ccnn4)n3)CC2(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SORD Q00796 15/20 0.36
ACACB O00763 3/20 0.32
EIF2AK4 Q9P2K8 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
SCHEMBL6299092 1.00 SORD (0.36) SORDACACBEIF2AK4
SCHEMBL7493434 0.86 SORD (0.45) SORDACACB
SCHEMBL6293077 0.86 SORD (0.45) SORDACACB
SCHEMBL7492661 0.81 SORD (0.34) SORDACACB
SCHEMBL6293140 0.81 SORD (0.34) SORDACACB
SCHEMBL6298854 0.80 SORD (0.42) SORD
SCHEMBL7499515 0.80 SORD (0.42) SORD
SCHEMBL6294682 0.76 SORD (0.46) SORD
SCHEMBL7566231 0.76 SORD (0.46) SORD
SCHEMBL6297967 0.76 SORD (0.34) SORD

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-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO disclosed