SCHEMBL4433016

SCHEMBL4433016

CNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1ccc(OC)c(OC)c1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
ALOX5 P09917 4/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CCR2 P41597 2/20 0.43
MEN1 O00255 2/20 0.43
CASR P41180 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TACR1 P25103 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PPARA Q07869 5/20 0.40
PPARD Q03181 3/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PDE2A O00408 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4435541 1.00 EPHX2 (0.44) EPHX2ALOX5KMT2AMAPTCCR2
SCHEMBL4430301 1.00 EPHX2 (0.44) EPHX2ALOX5KMT2AMAPTCCR2
SCHEMBL4432373 0.94 KDM4E (0.43) EPHX2ALOX5KMT2ACCR2MEN1
SCHEMBL4429519 0.94 KDM4E (0.43) EPHX2ALOX5KMT2ACCR2MEN1
SCHEMBL4432984 0.92 LMNA (0.41) EPHX2ALOX5MAPTAKR1C3AKR1C2
SCHEMBL4433176 0.92 LMNA (0.41) EPHX2ALOX5MAPTAKR1C3AKR1C2
SCHEMBL4433698 0.92 LMNA (0.41) EPHX2ALOX5MAPTAKR1C3AKR1C2
SCHEMBL4431215 0.90 KMT2A (0.50) EPHX2ALOX5KMT2AMAPTMEN1
SCHEMBL4441614 0.90 KMT2A (0.50) EPHX2ALOX5KMT2AMAPTMEN1
SCHEMBL4434528 0.88 KMT2A (0.43) EPHX2ALOX5KMT2AMAPTCCR2

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 claimed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO claimed