SCHEMBL6177656

SCHEMBL6177656

CC(c1ccncc1N1CCN(C)CC1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TRPV4 Q9HBA0 4/20 0.37
MAP4K1 Q92918 1/20 0.37
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 2/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 2/20 0.33
GPR139 Q6DWJ6 1/20 0.33
BCL2A1 Q16548 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPK7 Q13164 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
SCHEMBL6175577 0.85 EPHX2 (0.40) LMNAABL1ALDH1A1MAPK7
SCHEMBL6173698 0.84 LMNA (0.42) LMNACYP3A4POLBL3MBTL1
SCHEMBL6173186 0.81 LMNA (0.40) LMNAPOLBL3MBTL1GPR139
SCHEMBL6173490 0.81 ABL1 (0.44) LMNATRPV4MAP4K1POLBL3MBTL1
SCHEMBL6172197 0.80 LMNA (0.40) LMNAPOLBL3MBTL1
SCHEMBL6172442 0.80 LMNA (0.40) LMNACYP3A4POLBL3MBTL1
SCHEMBL6170501 0.80 LMNA (0.42) LMNAPOLBL3MBTL1
SCHEMBL6171386 0.80 LMNA (0.38) LMNAPOLBL3MBTL1
SCHEMBL6176359 0.79 LMNA (0.39) LMNAPOLBL3MBTL1
SCHEMBL6174909 0.79 TRPV4 (0.37) TRPV4MAP4K1CYP3A4POLBL3MBTL1

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