SCHEMBL4565213

SCHEMBL4565213

COc1cnc2cc(-c3ccc(S(=O)(=O)C4CCC5(CC4)CC(C4(C)CC4)C(=O)CN5)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 14/20 0.33
PDE4B Q07343 1/20 0.30
ABL1 P00519 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
SCHEMBL4541263 0.87 HPGDS (0.33) HPGDS
SCHEMBL4565386 0.85 FASN (0.40)
SCHEMBL4540383 0.78 HPGDS (0.31) HPGDS
SCHEMBL4565372 0.76 PIK3C3 (0.36)
SCHEMBL4565401 0.75 PIK3CA (0.31)
SCHEMBL4541625 0.73 FASN (0.38)
SCHEMBL4566498 0.72 FASN (0.42) HPGDS
SCHEMBL4564364 0.68 HTR6 (0.36) PDE4B
SCHEMBL15544329 0.67 GRIN1 (0.33)
SCHEMBL4565553 0.67 FGFR1 (0.37) ABL1

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-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed