SCHEMBL6173665

SCHEMBL6173665

CC(c1ccnc2c(N3CCCCC3)cccc12)C1(C(C)c2ccnc3c(N4CCCCC4)cccc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
GAA P10253 1/20 0.34
CASR P41180 2/20 0.33
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE2A O00408 1/20 0.32
SCN9A Q15858 2/20 0.32
CCR6 P51684 1/20 0.32
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL6172470 0.87 IGF1R (0.36) MAPTALDH1A1MAPK1KDM4EL3MBTL1
SCHEMBL6174388 0.86 MAPK7 (0.39) ALDH1A1L3MBTL1TRPV4GAACASR
SCHEMBL6175936 0.85 GPR139 (0.40) ALDH1A1L3MBTL1GAASCN9APOLB
SCHEMBL6175295 0.85 POLB (0.35) MAPTALDH1A1L3MBTL1TRPV4GAA
SCHEMBL6173635 0.84 CCR6 (0.35) MAPTKDM4EL3MBTL1TRPV4PDE2A
SCHEMBL6173272 0.83 GPR139 (0.34) ALDH1A1L3MBTL1TRPV4GAACASR
SCHEMBL6173352 0.83 CYP3A4 (0.35) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL6175751 0.81 AR (0.41) ALDH1A1L3MBTL1SMN1; SMN2GAAHTT
SCHEMBL6172558 0.81 TRPV4 (0.35) MAPTALDH1A1MAPK1KDM4EL3MBTL1
SCHEMBL6172559 0.81 LMNA (0.37) MAPTALDH1A1MAPK1KDM4EL3MBTL1

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