SCHEMBL7053677

SCHEMBL7053677

COC(O)(OC)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.60
ADRB1 P08588 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2C P28335 1/20 0.60
HTR1E P28566 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR7 P34969 1/20 0.60
HTR2B P41595 1/20 0.60
HTR6 P50406 1/20 0.60
SLC6A3 Q01959 1/20 0.60
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
MPO P05164 1/20 0.55

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
SCHEMBL4602123 0.84 HTR2A (0.65) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL12234161 0.81 HTR2A (0.69) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL29941662 0.79 HTR2A (0.70) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL27666861 0.79 HTR2A (0.70) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL24729149 0.78 HTR2A (0.64) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL15281759 0.78 HTR2A (0.64) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL3574328 0.78 HTR2A (0.64) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL4735105 0.77 HTR2A (0.71) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL4735107 0.77 HTR2A (0.71) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL19720276 0.76 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029869-B1 Endothelin converting enzyme inhibitors WELLCOME FOUND (GB) 2003-04-23 EP disclosed
US-6235717-B1 Pharmaceutical compounds GLAXO WELLCOME INC. 2001-05-22 US disclosed
EP-1029869-A1 Endothelin converting enzyme inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 2000-08-23 EP disclosed
EP-0677059-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-10-18 EP disclosed
WO-1994015956-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-21 WO disclosed