SCHEMBL9514978

SCHEMBL9514978

CCCCC(CCCC)(CNC(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NAAA Q02083 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1G O43497 1/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
BCAT2 O15382 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL9513437 0.91 CACNA1G (0.45) KIF11CHRM2CHRM1CHRM3LMNA
SCHEMBL9513462 0.84 CHRM2 (0.45) KIF11CHRM2CHRM1CHRM3LMNA
SCHEMBL51280 0.78 ADH1B (0.38) KIF11LMNAKMT2AGAAEGFR
SCHEMBL6560515 0.76 KIF11 (0.42) KIF11KMT2A
SCHEMBL31021330 0.76 CYP2C19 (0.52) KIF11NAAALMNAHTTTSHR
SCHEMBL12314429 0.76 CYP2C19 (0.52) KIF11NAAALMNAHTTTSHR
SCHEMBL17715572 0.75 CYP1A2 (0.47) KIF11LMNAMAPTKMT2AHTT
SCHEMBL4231538 0.75 BCAT2 (0.47) CHRM2CHRM1CHRM3LMNAMAPT
SCHEMBL9515920 0.74
SCHEMBL20541470 0.74 HTT (0.54) KIF11CHRM2CHRM1CHRM3LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP claimed
EP-0344425-A2 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1989-12-06 EP claimed
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP disclosed
EP-0344425-A2 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1989-12-06 EP disclosed