SCHEMBL6176756

SCHEMBL6176756

CC(c1ccnc(Br)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH4 Q9H3N8 1/20 0.34
MCHR1 Q99705 4/20 0.34
NPBWR1 P48145 1/20 0.34
PDE2A O00408 4/20 0.33
LIPE Q05469 2/20 0.33
OPRM1 P35372 1/20 0.33
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL6175578 0.88 LMNA (0.42) LMNAPOLBL3MBTL1HRH4MCHR1
SCHEMBL6173438 0.88 LMNA (0.42) LMNAPOLBL3MBTL1HRH4MCHR1
SCHEMBL6175660 0.86 LMNA (0.40) LMNAPOLBL3MBTL1HRH4MCHR1
SCHEMBL6172084 0.86 LMNA (0.40) LMNAPOLBL3MBTL1HRH4MCHR1
SCHEMBL6171053 0.85 LMNA (0.40) LMNAPOLBL3MBTL1HRH4MCHR1
SCHEMBL6177038 0.85 LMNA (0.42) LMNAPOLBL3MBTL1MCHR1PDE2A
SCHEMBL6174848 0.85 LMNA (0.46) LMNAPOLBL3MBTL1PDE2ALIPE
SCHEMBL6171614 0.84 LMNA (0.39) LMNAPOLBL3MBTL1HRH4MCHR1
SCHEMBL6171105 0.84 LMNA (0.39) LMNAPOLBL3MBTL1LIPEATP1A1
SCHEMBL6174756 0.84 MAT2A (0.43) LMNAPOLBL3MBTL1MCHR1NPBWR1

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed