SCHEMBL6170677

SCHEMBL6170677

COc1ccc2nccc(CCN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.48
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TRPV1 Q8NER1 1/20 0.42
TAS2R8 Q9NYW2 2/20 0.41
ROCK2 O75116 1/20 0.40
AR P10275 1/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL2935050 0.92 IGF1R (0.57) IGF1RTAS2R8ROCK2
SCHEMBL2938896 0.85 IGF1R (0.56) IGF1RTAS2R8
SCHEMBL13039192 0.84 IGF1R (0.58) IGF1RAR
SCHEMBL2942283 0.83 IGF1R (0.45) IGF1RMTNR1AMTNR1BROCK2
SCHEMBL2941511 0.83 IGF1R (0.57) IGF1RTAS2R8
SCHEMBL2933420 0.83 IGF1R (0.57) IGF1RTAS2R8
SCHEMBL2934568 0.82 IGF1R (0.56) IGF1R
SCHEMBL2943395 0.82 IGF1R (0.56) IGF1RTRPV1
SCHEMBL2937204 0.82 IGF1R (0.56) IGF1R
SCHEMBL2938070 0.81 IGF1R (0.55) IGF1RTRPV1

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