SCHEMBL6173685

SCHEMBL6173685

CN1CCC(c2cnccc2C(NC=O)N2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C2(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.33
LIPE Q05469 3/20 0.31
GCGR P47871 2/20 0.31
IGF1R P08069 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
DAPK1 P53355 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
MAPK7 Q13164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6171670 0.88 IGF1R (0.38) IGF1R
SCHEMBL6173460 0.85 HTR2A (0.34) HTR6HTR2ALIPEGCGRMAPK7
SCHEMBL6174365 0.83 HTR6 (0.35) HTR6HTR2ALIPEGCGRNTRK1
SCHEMBL6172228 0.73 IGF1R (0.35) IGF1R
SCHEMBL6175215 0.72 CTSS (0.34) IGF1R
SCHEMBL6171937 0.70 IGF1R (0.41) IGF1R
SCHEMBL2939754 0.69 KMT2A (0.48) IGF1RTRPV4ALDH1A1
SCHEMBL2940203 0.69 IGF1R (0.44) GCGRIGF1R
SCHEMBL6175147 0.68 HTR2A (0.34) HTR6HTR2ALIPETRPV4MAPK7
SCHEMBL2938194 0.67 IGF1R (0.41) GCGRIGF1R

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