SCHEMBL6173980

SCHEMBL6173980

CC(c1ccnc(N2CCCCC2)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.42
SCN9A Q15858 2/20 0.40
PDE2A O00408 2/20 0.38
LMNA P02545 1/20 0.38
MCHR1 Q99705 1/20 0.38
LRRK2 Q5S007 3/20 0.37
GPR139 Q6DWJ6 1/20 0.37
ABL1 P00519 5/20 0.36
GALR2 O43603 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34

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
SCHEMBL6173490 0.92 ABL1 (0.44) CCR6SCN9ALMNAMCHR1LRRK2
SCHEMBL6175676 0.84 EPHX2 (0.44) PDE2ALMNAMCHR1
SCHEMBL6175578 0.83 LMNA (0.42) PDE2ALMNAMCHR1GPR139POLB
SCHEMBL6173438 0.83 LMNA (0.42) PDE2ALMNAMCHR1ABL1POLB
SCHEMBL6176756 0.83 LMNA (0.42) PDE2ALMNAMCHR1POLBL3MBTL1
SCHEMBL6172084 0.81 LMNA (0.40) PDE2ALMNAMCHR1GPR139POLB
SCHEMBL6175660 0.81 LMNA (0.40) LMNAMCHR1GPR139POLBL3MBTL1
SCHEMBL6171053 0.81 LMNA (0.40) PDE2ALMNAMCHR1POLBL3MBTL1
SCHEMBL6177038 0.81 LMNA (0.42) PDE2ALMNAMCHR1GPR139POLB
SCHEMBL6174848 0.80 LMNA (0.46) PDE2ALMNAPOLBL3MBTL1

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