SCHEMBL6929909

SCHEMBL6929909

CC1=Cc2ccccc2C1CCCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
SRC P12931 1/20 0.43
HTR2A P28223 5/20 0.39
HRH1 P35367 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL7105374 0.84 HTR2A (0.47) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL1453437 0.80 HTR2A (0.42) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL4005225 0.78 HTR2A (0.41) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL11127960 0.76 KDM4E (0.41) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL1454082 0.76 HTR2A (0.44) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL7783135 0.75 HTR2A (0.39) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL1452870 0.73 HTR2A (0.42) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL23548026 0.72 EGFR (0.55) EGFRSRCHTR2AHRH1KDM4E
SCHEMBL8861732 0.71 HTR2A (0.51) HTR2AHRH1KDM4EHSD17B10LMNA
SCHEMBL6238627 0.71 HTR2A (0.41) HTR2AHRH1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980375-A4 SILYLATED AND N-SILYLATED COMPOUND SYNTHESIS BOULDER SCIENT CO (US) 2003-01-22 EP disclosed
EP-0980375-A1 N-SILYLATED COMPOUND SYNTHESIS BOULDER SCIENTIFIC COMPANY (US) 2000-02-23 EP disclosed
WO-1999038871-A1 SILYLATED AND N-SILYLATED COMPOUND SYNTHESIS BOULDER SCIENTIFIC COMPANY (US) 1999-08-05 WO disclosed