SCHEMBL6636249

SCHEMBL6636249

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
PSEN1 P49768 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6635356 0.93 NPY2R (0.32) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL6632840 0.83 TDP1 (0.32)
SCHEMBL3850662 0.81 APP (0.33) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL5610109 0.78 L3MBTL1 (0.32) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL6634428 0.77 ALDH1A1 (0.33)
SCHEMBL3853503 0.77 ITGB1 (0.35) AADAT
SCHEMBL6632020 0.76 HDAC3 (0.35) HTR2A
SCHEMBL6632832 0.76 NCEH1 (0.31)
SCHEMBL6634327 0.75 KMT2A (0.33)
SCHEMBL6633768 0.75 TDP1 (0.35)

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