SCHEMBL3834530

SCHEMBL3834530

CN1C(=O)CCCCC1N1CCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
MGLL Q99685 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL6335314 0.73 NOS3 (0.45) BRD4BRD2MGLL
SCHEMBL19822364 0.71 CA1 (0.43) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL20858617 0.71 NOS3 (0.43) BRD4BRD2MGLL
SCHEMBL28282296 0.71 NOS3 (0.43) BRD4BRD2MGLL
SCHEMBL19271810 0.71 NOS3 (0.43)
SCHEMBL23917218 0.71 NOS3 (0.43) BRD4BRD2MGLL
SCHEMBL22889 0.71 NOS3 (0.43) BRD4BRD2MGLL
SCHEMBL5026142 0.71 NOS1 (0.48)
SCHEMBL27939000 0.71 NOS3 (0.43) BRD4BRD2MGLL
SCHEMBL2989139 0.71 BRD4 (0.40) BRD4BRD2CHRNB2CHRNB4CHRNA3

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-2059564-A1 IMPROVEMENTS IN PHTHALOCYANINE DYE FORMULATIONS Silverbrook Research Pty. Ltd (AU) 2009-05-20 EP disclosed
WO-2008006135-A1 IMPROVEMENTS IN PHTHALOCYANINE DYE FORMULATIONS SILVERBROOK RESEARCH PTY LTD (AU) 2008-01-17 WO disclosed