SCHEMBL6635356

SCHEMBL6635356

CC1(C)CS[C@@H](C(=O)[C@](C)(C(=O)O)N(c2ccc(OC(=O)N3CCCC3CO)cc2)S(=O)(=O)c2ccc(F)cc2)N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.32
RORC P51449 3/20 0.31
APP P05067 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
PSEN1 P49768 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6636249 0.93 APP (0.35) RORCAPPHTR1AADRA2ADRD2
SCHEMBL6633768 0.82 TDP1 (0.35) NPY2R
SCHEMBL3853503 0.80 ITGB1 (0.35) HCRTR1HCRTR2AADAT
SCHEMBL3850662 0.78 APP (0.33) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL6637256 0.78 NPY2R (0.38) NPY2R
SCHEMBL5610109 0.76 L3MBTL1 (0.32) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL6633703 0.76 ALDH1A1 (0.37) NPY2R
SCHEMBL6633780 0.75 NCEH1 (0.32) NPY2R
SCHEMBL6632840 0.75 TDP1 (0.32)
SCHEMBL6635393 0.72 HSD11B1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed