SCHEMBL6173358

SCHEMBL6173358

CCOC(c1ccnc(N2CCCC2)c1)N1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.43
SCN9A Q15858 2/20 0.38
IGF1R P08069 6/20 0.36
GPR139 Q6DWJ6 1/20 0.35
ABL1 P00519 4/20 0.34
PDE2A O00408 1/20 0.34
MCHR1 Q99705 1/20 0.34
LIPE Q05469 1/20 0.33

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
SCHEMBL6173992 0.84 CCR6 (0.40) CCR6SCN9AGPR139ABL1PDE2A
SCHEMBL6175237 0.81 CCR6 (0.43) CCR6SCN9AGPR139ABL1PDE2A
SCHEMBL2937083 0.78 IGF1R (0.52) CCR6IGF1R
SCHEMBL2938065 0.77 LTA4H (0.39) IGF1RABL1MCHR1
SCHEMBL2942080 0.72 IGF1R (0.52) IGF1RABL1
SCHEMBL6174879 0.72 IGF1R (0.40) IGF1RPDE2A
SCHEMBL2942734 0.71 IGF1R (0.51) IGF1RABL1
SCHEMBL2940951 0.71 GCGR (0.44) CCR6SCN9AIGF1R
SCHEMBL6173980 0.71 CCR6 (0.42) CCR6SCN9AGPR139ABL1PDE2A
SCHEMBL6173978 0.71 CCR6 (0.46) CCR6SCN9AABL1MCHR1

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