SCHEMBL6173363

SCHEMBL6173363

CCN(CC)CCOC(=O)Nc1cnccc1CC1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.34
NAMPT P43490 2/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6175557 0.91 GAA (0.36) IGF1RNAMPTCYP2C9ALDH1A1CYP3A4
SCHEMBL6172175 0.88 IGF1R (0.37) IGF1RCYP2C9ALDH1A1CYP3A4GAA
SCHEMBL6174680 0.85 IGF1R (0.37) IGF1RNAMPTCYP2C9ALDH1A1CYP3A4
SCHEMBL3728080 0.84 IGF1R (0.51) IGF1RNAMPT
SCHEMBL6175985 0.84 IGF1R (0.41) IGF1RNAMPTCYP2C9ALDH1A1CYP3A4
SCHEMBL6174414 0.83 IGF1R (0.38) IGF1RNAMPTCYP2C9THRBMAPT
SCHEMBL2939804 0.80 IGF1R (0.33) IGF1RNAMPTRXFP1
SCHEMBL6171908 0.80 NAMPT (0.49) IGF1RNAMPTCYP2C9
SCHEMBL2941322 0.80 IGF1R (0.51) IGF1RNAMPTRXFP1
SCHEMBL6176685 0.79 IGF1R (0.39) IGF1RNAMPTCYP2C9ALDH1A1CYP3A4

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