SCHEMBL2355152

SCHEMBL2355152

CC(C)(C)C1[C@H](Cc2n[nH]c(=O)n2-c2ccc(Br)cc2F)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.42
SLC22A12 Q96S37 1/20 0.35
CCR1 P32246 5/20 0.34
CCR2 P41597 5/20 0.34
HSP90AA1 P07900 3/20 0.32
MAP2K1 Q02750 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
SCHEMBL2356332 0.87 FASN (0.49) FASNHSP90AA1
SCHEMBL2355089 0.85 FASN (0.40) FASN
SCHEMBL2357335 0.85 FASN (0.61) FASN
SCHEMBL2358391 0.83 FASN (0.53) FASN
SCHEMBL2355763 0.82 FASN (0.46) FASN
SCHEMBL14152133 0.77 FASN (0.59) FASNCCR1CCR2HSP90AA1
SCHEMBL14346404 0.77 FASN (0.59) FASNCCR1CCR2HSP90AA1
SCHEMBL2355150 0.74 FASN (0.58) FASN
SCHEMBL2298684 0.73 FASN (0.61) FASNCCR1CCR2
SCHEMBL2298682 0.73 FASN (0.61) FASNCCR1CCR2

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-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed