SCHEMBL4435855

SCHEMBL4435855

COc1ccc(C(CC(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
HPGD P15428 2/20 0.51
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
TNF P01375 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
UTS2R Q9UKP6 2/20 0.46
FFAR1 O14842 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27702953 0.92 TNF (0.55) HPGDTNFGAALMNAKMT2A
SCHEMBL18055503 0.87 FNTA (0.59) CNR2HPGDFNTAFNTBGAA
SCHEMBL4617540 0.87 CYP2C19 (0.55) LMNANPC1KMT2AMEN1
SCHEMBL4435743 0.84 TNF (0.50) TNFGAALMNAL3MBTL1TDP1
SCHEMBL2356414 0.83 FNTA (0.52) FNTAFNTBLMNAUTS2R
SCHEMBL4441848 0.81 CACNA1A (0.57) HPGDTNFGAALMNAKMT2A
SCHEMBL28036009 0.80 L3MBTL1 (0.63) HPGDGAALMNANPC1RAB9A
SCHEMBL10953096 0.80 LMNA (0.76) CNR2FNTAFNTBGAALMNA
SCHEMBL1980002 0.79 KMT2A (0.55) LMNAKMT2AMEN1
SCHEMBL6289377 0.79 TNF (0.52) CNR2TNFNPC1RAB9AKMT2A

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