SCHEMBL4434475

SCHEMBL4434475

NC(=O)C(NCCC(c1ccc(OC(F)F)c(OC(F)F)c1)c1ccc(C(F)(F)F)cn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.41
FFAR1 O14842 1/20 0.39
KCNH2 Q12809 1/20 0.36
SYK P43405 1/20 0.35
GCGR P47871 1/20 0.35

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
SCHEMBL4438606 0.90 PDE4A (0.42) PDE4AFFAR1KCNH2
SCHEMBL4432136 0.88 FFAR1 (0.40) PDE4AFFAR1KCNH2
SCHEMBL4432348 0.88 FFAR1 (0.40) PDE4AFFAR1KCNH2
SCHEMBL4432376 0.88 PDE4A (0.42) PDE4A
Hydrochloric Acid SCHEMBL4434483 0.87 FFAR1 (0.40) PDE4AFFAR1KCNH2
Hydrochloric Acid SCHEMBL4441407 0.87 FFAR1 (0.40) PDE4AFFAR1KCNH2
SCHEMBL3738382 0.79 FFAR1 (0.39) PDE4AFFAR1KCNH2SYK
SCHEMBL4429160 0.78 PDE4A (0.43) PDE4A
SCHEMBL4429325 0.78 PDE4A (0.43) PDE4A
SCHEMBL4434762 0.78 PDE4A (0.42) PDE4AFFAR1KCNH2

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-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed