SCHEMBL18106921

SCHEMBL18106921

COc1cnc2cc(-c3ccc(C(C(=O)O)N4CCC5(CC4)CN(C4CC4)C(=O)CO5)c(F)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.46
HPGDS O60760 4/20 0.32
NPY5R Q15761 3/20 0.32
KCNJ1 P48048 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL14720251 0.94 FASN (0.46) FASNHPGDSNPY5RGSK3BDYRK1A
SCHEMBL14720204 0.94 FASN (0.45) FASNHPGDSNPY5RKCNJ1
SCHEMBL14720427 0.87 FASN (0.61) FASNNPY5RGSK3B
SCHEMBL14720307 0.85 FASN (0.46) FASNNPY5R
SCHEMBL14720369 0.85 FASN (0.47) FASNNPY5R
SCHEMBL14720418 0.83 FASN (0.59) FASNNPY5RGSK3B
SCHEMBL14720316 0.83 FASN (0.46) FASNNPY5R
SCHEMBL15543128 0.82 FASN (0.48) FASN
SCHEMBL15543454 0.82 FASN (0.48) FASN
SCHEMBL14720197 0.82 FASN (0.45) FASNNPY5RKCNJ1

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-2744333-B1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-10-05 EP claimed