SCHEMBL7269658

SCHEMBL7269658

c1ccc(CCC2OCOC2CCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC18A2 Q05940 1/20 0.43

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
SCHEMBL11687983 0.79 FASN (0.53) FASNSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL24137898 0.76 MEN1 (0.62) SLC6A2SLC6A4SLC6A3TAAR1DRD4
SCHEMBL2077308 0.76 MEN1 (0.62) SLC6A2SLC6A4SLC6A3TAAR1DRD4
SCHEMBL52143 0.76 MEN1 (0.62) SLC6A2SLC6A4SLC6A3TAAR1DRD4
SCHEMBL3761884 0.74 FASN (0.49) FASNSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL7428125 0.74 DRD4 (0.47) SLC6A2SLC6A4SLC6A3TAAR1DRD4
SCHEMBL8786930 0.74 SLC6A2 (0.50) FASNSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL1493179 0.74 FASN (0.49) FASNSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL8200189 0.74 SLC6A2 (0.50) FASNSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL5864654 0.74 SLC6A2 (0.50) FASNSLC6A2SLC6A4SLC6A3TAAR1

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-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed