SCHEMBL6174456

SCHEMBL6174456

CCOC(=O)c1cnccc1CC1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
AR P10275 2/20 0.35
NAMPT P43490 1/20 0.35
EPHX2 P34913 2/20 0.35
TRPV1 Q8NER1 1/20 0.33
CMA1 P23946 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6170496 0.90 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6176355 0.89 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173349 0.88 ALDH1A1 (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174589 0.88 CYP3A4 (0.42) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174655 0.87 IGF1R (0.39) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173046 0.84 CYP3A4 (0.37) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6175575 0.84 EPHX2 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173171 0.84 KDR (0.42) MAPTCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175742 0.83 ALDH1A1 (0.37) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6251393 0.83 EPHX2 (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1

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