SCHEMBL6173490

SCHEMBL6173490

CC(c1ccnc(N2CCN(C)CC2)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.44
TRPV4 Q9HBA0 4/20 0.41
SCN9A Q15858 2/20 0.40
CCR6 P51684 1/20 0.40
LRRK2 Q5S007 2/20 0.39
MCHR1 Q99705 2/20 0.39
MAP4K1 Q92918 1/20 0.39
LMNA P02545 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
MAPK7 Q13164 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6173980 0.92 CCR6 (0.42) ABL1SCN9ACCR6LRRK2MCHR1
SCHEMBL6173346 0.85 EPHX2 (0.40) ABL1TRPV4LMNAGPR139MAPK7
SCHEMBL6173438 0.82 LMNA (0.42) ABL1MCHR1LMNAHRH4POLB
SCHEMBL6175578 0.82 LMNA (0.42) MCHR1LMNAHRH4GPR139POLB
SCHEMBL6176756 0.82 LMNA (0.42) MCHR1LMNAHRH4POLBL3MBTL1
SCHEMBL6175660 0.81 LMNA (0.40) MCHR1LMNAHRH4GPR139POLB
SCHEMBL6172084 0.81 LMNA (0.40) MCHR1LMNAHRH4GPR139POLB
SCHEMBL6177656 0.81 LMNA (0.37) ABL1TRPV4SCN9AMAP4K1LMNA
SCHEMBL6177038 0.80 LMNA (0.42) MCHR1LMNAGPR139POLBL3MBTL1
SCHEMBL6171053 0.80 LMNA (0.40) MCHR1LMNAHRH4POLBL3MBTL1

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