SCHEMBL6412396

SCHEMBL6412396

CS(=O)(=O)Oc1ccc2cccc(N3CCN(CCc4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)cn4)CC3=O)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.33
HTR1A P08908 7/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
DRD2 P14416 5/20 0.32
DRD3 P35462 3/20 0.32
MCHR1 Q99705 2/20 0.32
HTR2A P28223 4/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
SLC6A2 P23975 2/20 0.32
HRH2 P25021 2/20 0.32
ADRA1D P25100 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 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
SCHEMBL7169453 0.86 SIRT2 (0.34) SIRT2HTR1AHTR1DHTR1BDRD2
SCHEMBL7164728 0.72 SIRT2 (0.42) SIRT2MTNR1A
SCHEMBL6412083 0.70 HTR1A (0.32) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL6412080 0.69 FNTA (0.44)
SCHEMBL7164487 0.69 SIRT2 (0.38) SIRT2
SCHEMBL8009019 0.69 GPR52 (0.35) HTR1AHTR1DHTR1BDRD2MCHR1
SCHEMBL7718980 0.68 SIRT2 (0.34) SIRT2
SCHEMBL7718984 0.68 SIRT2 (0.34) SIRT2
SCHEMBL7247790 0.67 HTR5A (0.38) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL7247789 0.66 HTR5A (0.38) HTR1AHTR1DHTR1BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed