SCHEMBL577406

SCHEMBL577406

Clc1cccc(Nc2ncc(-c3ccc(C4CC=CCN4)cc3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT7 Q9NRC8 1/20 0.53
DGAT1 O75907 2/20 0.52
VCP P55072 3/20 0.47
KDR P35968 9/20 0.45
FLT1 P17948 7/20 0.45
FLT4 P35916 7/20 0.45
IMPDH2 P12268 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL180766 0.77 SIRT7 (0.65) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180836 0.75 DGAT1 (0.56) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180938 0.73 DGAT1 (0.54) SIRT7DGAT1VCPKDRFLT1
SCHEMBL16546760 0.72 DGAT1 (0.64) SIRT7DGAT1VCPKDRFLT1
SCHEMBL14617025 0.72 DGAT1 (0.64) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180807 0.72 DGAT1 (0.64) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180696 0.71 DGAT1 (0.64) SIRT7DGAT1VCPKDRFLT1
SCHEMBL577407 0.71 SIRT7 (0.55) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180361 0.69 DGAT1 (0.81) SIRT7DGAT1VCPKDRFLT1
SCHEMBL180949 0.69 SIRT7 (0.56) SIRT7DGAT1VCPKDRFLT1

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-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed