SCHEMBL5684469

SCHEMBL5684469

NC(=O)[C@H](NCCc1ccc(Oc2cccc(F)c2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.51
LTA4H P09960 2/20 0.50
EPHX2 P34913 2/20 0.50
KMT2A Q03164 2/20 0.47
GLI1 P08151 1/20 0.46
GLI2 P10070 1/20 0.46
HAT1 O14929 5/20 0.45
EP300 Q09472 5/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
FFAR1 O14842 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
BLM P54132 1/20 0.43

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
SCHEMBL5695724 1.00 ULK1 (0.51) ULK1LTA4HEPHX2KMT2AGLI1
SCHEMBL5684479 1.00 ULK1 (0.51) ULK1LTA4HEPHX2KMT2AGLI1
SCHEMBL5682167 0.93 LTA4H (0.46) ULK1LTA4HEPHX2KMT2AGLI1
SCHEMBL5681613 0.91 EPHX2 (0.52) LTA4HEPHX2KMT2AHAT1EP300
SCHEMBL5680327 0.91 EPHX2 (0.52) LTA4HEPHX2KMT2AHAT1EP300
SCHEMBL5680330 0.91 EPHX2 (0.52) LTA4HEPHX2KMT2AHAT1EP300
SCHEMBL5684150 0.90 MAOB (0.51) KMT2AHTR2CHTR2B
SCHEMBL5684137 0.90 MAOB (0.51) KMT2AHTR2CHTR2B
SCHEMBL5697043 0.88 ADRB3 (0.56) LTA4HEPHX2KMT2AHAT1EP300
SCHEMBL5697044 0.88 ADRB3 (0.56) LTA4HEPHX2KMT2AHAT1EP300

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-1044186-B9 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARM SPA (IT) 2006-06-21 EP disclosed
EP-1044186-B1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARM SPA (IT) 2006-03-08 EP disclosed