SCHEMBL6177220

SCHEMBL6177220

CC(c1ccnc(NNC(=O)c2ccccc2)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
PDE2A O00408 8/20 0.38
TRPV1 Q8NER1 1/20 0.35
LIPE Q05469 1/20 0.34
SLC5A1 P13866 2/20 0.34
NR3C1 P04150 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL6177584 0.87 IGF1R (0.38) LMNAPDE2A
SCHEMBL6174217 0.87 IGF1R (0.38) LMNA
SCHEMBL6173730 0.85 IDH1 (0.42) LMNA
SCHEMBL6174274 0.85 GCGR (0.42) PDE2ATRPV1LIPESLC5A1
SCHEMBL6171770 0.85 LMNA (0.43) LMNAPDE2ASLC5A1
SCHEMBL6172084 0.84 LMNA (0.40) LMNAPDE2ASLC5A1
SCHEMBL6175302 0.84 GRM5 (0.45) LIPESLC5A1
SCHEMBL6177007 0.83 TDP1 (0.42) LMNAPDE2ALIPESLC5A1
SCHEMBL6174848 0.82 LMNA (0.46) LMNAPDE2ALIPESLC5A1
SCHEMBL6175179 0.82 ABL1 (0.44) LMNATLR7PDE2ATRPV1NR3C1

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