SCHEMBL6173992

SCHEMBL6173992

CCOC(c1ccnc(N2CCCC2)c1)N1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.40
SCN9A Q15858 2/20 0.37
GPR139 Q6DWJ6 3/20 0.36
PDE2A O00408 1/20 0.35
MCHR1 Q99705 1/20 0.35
GALR2 O43603 1/20 0.34
ABL1 P00519 3/20 0.33
CACNA2D1 P54289 2/20 0.33
LIPE Q05469 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
IDH1 O75874 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
SCHEMBL6174879 0.87 IGF1R (0.40) PDE2A
SCHEMBL6173358 0.84 CCR6 (0.43) CCR6SCN9AGPR139PDE2AMCHR1
SCHEMBL6175237 0.77 CCR6 (0.43) CCR6SCN9AGPR139PDE2AMCHR1
SCHEMBL2940053 0.76 LTA4H (0.40) MCHR1ABL1
SCHEMBL2935236 0.75 CCR6 (0.42) CCR6SCN9AMCHR1GALR2ABL1
SCHEMBL6173980 0.71 CCR6 (0.42) CCR6SCN9AGPR139PDE2AMCHR1
SCHEMBL2940698 0.70 ABL1 (0.46) CCR6SCN9AMCHR1ABL1
SCHEMBL2940588 0.69 ABL1 (0.46) SCN9AMCHR1ABL1
SCHEMBL2937083 0.68 IGF1R (0.52) CCR6
SCHEMBL2940003 0.68 HCRTR1 (0.44) CCR6SCN9AMCHR1ABL1

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