SCHEMBL4782129

SCHEMBL4782129

COc1ccc(Nc2cc(C(=O)Nc3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)ccc3C)ccn2)cc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C#N)nc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 19/20 0.65
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51

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
SCHEMBL4735914 0.95 FASN (0.71) FASN
SCHEMBL14209380 0.89 FASN (0.73) FASNNOS1NOS2
SCHEMBL4735404 0.88 FASN (0.79) FASN
SCHEMBL4784111 0.83 FASN (0.72) FASN
SCHEMBL4733926 0.81 FASN (0.69) FASN
SCHEMBL4734679 0.81 FASN (0.72) FASN
SCHEMBL14209836 0.81 FASN (0.77) FASN
SCHEMBL4734897 0.81 FASN (0.80) FASN
SCHEMBL4736481 0.80 FASN (0.74) FASN
SCHEMBL4734847 0.80 FASN (0.80) FASN

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed