SCHEMBL4564399

SCHEMBL4564399

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)nc3)CC2)CC1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.37
LOXL2 Q9Y4K0 2/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GSK3B P49841 1/20 0.32
HTR6 P50406 2/20 0.31
HTR7 P34969 1/20 0.31
CCR6 P51684 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
KCNH2 Q12809 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL4565605 0.85 MAPK14 (0.37) FASNLOXL2DDB1CRBNGSK3B
SCHEMBL4565737 0.85 GSK3B (0.37) FASNLOXL2DDB1CRBNGSK3B
SCHEMBL4564364 0.84 HTR6 (0.36) FASNLOXL2GSK3BHTR6HTR7
SCHEMBL4564893 0.83 FASN (0.35) FASNLOXL2GSK3BCCR6KCNH2
SCHEMBL4565609 0.82 FASN (0.38) FASNDDB1CRBNGSK3BHTR6
SCHEMBL4564691 0.82 FASN (0.36) FASNDDB1CRBNGSK3B
SCHEMBL4565347 0.81 MAPK14 (0.35) FASNDDB1CRBNGSK3B
SCHEMBL4561087 0.80 LOXL2 (0.33) FASNLOXL2DDB1CRBNGSK3B
SCHEMBL4561931 0.78 FASN (0.41) FASNLOXL2DDB1CRBNGSK3B
SCHEMBL4565386 0.78 FASN (0.40) FASNLOXL2DDB1CRBNGSK3B

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