SCHEMBL5684079

SCHEMBL5684079

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
KMT2A Q03164 2/20 0.47
GLI1 P08151 1/20 0.45
GLI2 P10070 1/20 0.45
ADRB3 P13945 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
FFAR1 O14842 2/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
ULK1 O75385 1/20 0.43
HAT1 O14929 4/20 0.42
EP300 Q09472 4/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL5695684 1.00 FNTA (0.50) FNTAFNTBKMT2AGLI1GLI2
SCHEMBL5681613 0.89 EPHX2 (0.52) KMT2ALTA4HEPHX2OPRM1OPRD1
SCHEMBL5680327 0.89 EPHX2 (0.52) KMT2ALTA4HEPHX2OPRM1OPRD1
SCHEMBL5680330 0.89 EPHX2 (0.52) KMT2ALTA4HEPHX2OPRM1OPRD1
SCHEMBL5684479 0.88 ULK1 (0.51) KMT2AGLI1GLI2ADRB3LTA4H
SCHEMBL5684469 0.88 ULK1 (0.51) KMT2AGLI1GLI2ADRB3LTA4H
SCHEMBL5695724 0.88 ULK1 (0.51) KMT2AGLI1GLI2ADRB3LTA4H
SCHEMBL5697043 0.87 ADRB3 (0.56) FNTAFNTBKMT2AADRB3LTA4H
SCHEMBL5697044 0.87 ADRB3 (0.56) FNTAFNTBKMT2AADRB3LTA4H
SCHEMBL5682167 0.81 LTA4H (0.46) KMT2AGLI1GLI2LTA4HEPHX2

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