SCHEMBL7421069

SCHEMBL7421069

CC(C)CC(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.62
ADRB1 P08588 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
HTR2C P28335 1/20 0.62
HTR1E P28566 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR7 P34969 1/20 0.62
HTR2B P41595 1/20 0.62
HTR6 P50406 1/20 0.62
SLC6A3 Q01959 1/20 0.62
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 2/20 0.60
APAF1 O14727 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL12383931 0.88 HTR2A (0.72) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL12383914 0.88 HTR2A (0.72) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL14665073 0.84 HTR2A (0.67) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL5692300 0.83 HTR2A (0.70) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL707958 0.83 HTR2A (0.70) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL827572 0.83 HTR2A (0.74) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL18822721 0.83 HTR2A (0.74) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL7149267 0.82 SMN1; SMN2 (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL11401246 0.81 SMN1; SMN2 (0.60) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL357990 0.81 HTR2A (0.66) HTR2AADRB1HTR1AADRA2ASLC6A2

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-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed