SCHEMBL4434528

SCHEMBL4434528

CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc(OC(C)C)c(OC)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASR P41180 3/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
MTTP P55157 2/20 0.40
MAPT P10636 3/20 0.40
CCR2 P41597 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
PLIN1 O60240 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4433516 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4433201 0.96 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4429248 0.96 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4432901 0.95 KDM4E (0.42) KMT2AMEN1ALDH1A1KDM4EALOX5
SCHEMBL4432373 0.94 KDM4E (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4429519 0.94 KDM4E (0.43) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4429756 0.88 PDE4A (0.42) KMT2AMEN1ALDH1A1KDM4ECCR2
SCHEMBL4434762 0.88 PDE4A (0.42) KMT2AMEN1ALDH1A1KDM4ECCR2
SCHEMBL4430301 0.88 EPHX2 (0.44) KMT2AMEN1ALDH1A1CASRHCRTR1
SCHEMBL4435541 0.88 EPHX2 (0.44) KMT2AMEN1ALDH1A1CASRHCRTR1

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