SCHEMBL6174541

SCHEMBL6174541

CCOC(=O)c1cc(C(C)C2(C(C)c3ccnc(C(=O)OCC)c3)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
GPR139 Q6DWJ6 2/20 0.38
MAPT P10636 1/20 0.37
PDE2A O00408 8/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MLYCD O95822 2/20 0.35
NR5A1 Q13285 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6173023 0.89 IGF1R (0.38) GPR139PDE2APOLBL3MBTL1CYP3A4
SCHEMBL4849527 0.89 PDE2A (0.37) GPR139PDE2APOLBL3MBTL1CYP3A4
SCHEMBL6174371 0.88 IGF1R (0.44) MAPTPDE2A
SCHEMBL6173852 0.87 IGF1R (0.37) MAPTMLYCD
SCHEMBL6171821 0.87 PDE2A (0.39) GPR139PDE2APOLBL3MBTL1CYP3A4
SCHEMBL6176257 0.86 MAPT (0.41) SLC5A1SLC5A2GPR139MAPTPDE2A
SCHEMBL6174616 0.85 IGF1R (0.40) GPR139PDE2APOLBL3MBTL1CYP3A4
SCHEMBL6174008 0.85 POLB (0.41) GPR139MAPTPDE2APOLBL3MBTL1
SCHEMBL6171486 0.84 POLB (0.39) GPR139PDE2APOLBL3MBTL1CYP3A4
SCHEMBL6174854 0.84 POLB (0.36) GPR139PDE2APOLBL3MBTL1CYP3A4

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