SCHEMBL2940028

SCHEMBL2940028

CN1CCN(CCCSc2ccc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.60
TAS2R8 Q9NYW2 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3729235 0.92 IGF1R (0.59) IGF1R
SCHEMBL2939681 0.86 IGF1R (0.48) IGF1RTAS2R8HTR1AHTR7HTR6
SCHEMBL2940459 0.84 IGF1R (0.64) IGF1RTAS2R8
Trifluoroacetic Acid SCHEMBL3728009 0.80 IGF1R (0.49) IGF1R
SCHEMBL2937078 0.79 IGF1R (0.75) IGF1RTAS2R8
Trifluoroacetic Acid SCHEMBL3734614 0.77 IGF1R (0.63) IGF1R
SCHEMBL2937352 0.76 IGF1R (0.71) IGF1RTAS2R8
SCHEMBL1130587 0.75 IGF1R (1.00) IGF1R
SCHEMBL4888208 0.75 IGF1R (0.72) IGF1RTAS2R8
SCHEMBL4881494 0.75 IGF1R (0.62) IGF1RTAS2R8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
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