SCHEMBL4429537

SCHEMBL4429537

CNC(=O)C(NCCC(c1ccc(C(F)(F)F)nc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.47
KCNH2 Q12809 2/20 0.47

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
SCHEMBL4440233 0.91 PDE4A (0.42) PDE4AKCNH2
SCHEMBL4435124 0.91 PDE4A (0.42) PDE4AKCNH2
SCHEMBL4434536 0.90 P2RX7 (0.42) PDE4AKCNH2
SCHEMBL4434565 0.90 P2RX7 (0.41)
SCHEMBL4430291 0.90 P2RX7 (0.41)
SCHEMBL4429658 0.89 PDE4A (0.41) PDE4AKCNH2
SCHEMBL4441413 0.89 PDE4A (0.41) PDE4AKCNH2
Hydrochloric Acid SCHEMBL4432260 0.89 P2RX7 (0.41)
SCHEMBL4435780 0.88 PDE4A (0.43) PDE4AKCNH2
SCHEMBL4438596 0.87 P2RX7 (0.41)

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