SCHEMBL6175941

SCHEMBL6175941

CC(c1ccnc(C(=O)N2CCOCC2)c1)C1(C(C)c2ccnc(C(=O)N3CCOCC3)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.39
TACR1 P25103 1/20 0.35
IGF1R P08069 1/20 0.34
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
SLC6A9 P48067 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 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
SCHEMBL6175019 0.92 DPP4 (0.37) TACR1IGF1RSCN7AKCNH2SCN9A
SCHEMBL6173425 0.90 LMNA (0.38) IGF1RSLC6A9SMN1; SMN2LMNAMAPK1
SCHEMBL6175494 0.89 IGF1R (0.35) TACR1IGF1RSCN7AKCNH2SCN9A
SCHEMBL6173405 0.87 IGF1R (0.40) TACR1IGF1RSMN1; SMN2
SCHEMBL6178301 0.87 EPHX2 (0.41)
SCHEMBL6172914 0.86 IGF1R (0.38) PTGS2IGF1RSMN1; SMN2ARLMNA
SCHEMBL6173852 0.82 IGF1R (0.37) IGF1RAR
SCHEMBL6175091 0.82 SLC6A9 (0.34) PTGS2TACR1SLC6A9SMN1; SMN2LMNA
SCHEMBL6172497 0.81 IGF1R (0.37) PTGS2IGF1RSMN1; SMN2ARLMNA
SCHEMBL6201343 0.80 PTGS2 (0.40) PTGS2IGF1RSMN1; SMN2ARLMNA

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