SCHEMBL11242980

SCHEMBL11242980

COC(=O)c1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.67
SLC6A2 P23975 5/20 0.67
CHRNA1 P02708 4/20 0.67
CHRNG P07510 4/20 0.67
CHRNB1 P11230 4/20 0.67
CHRNB2 P17787 4/20 0.67
CHRNB4 P30926 4/20 0.67
CHRNA3 P32297 4/20 0.67
CHRNA4 P43681 4/20 0.67
CHRND Q07001 4/20 0.67
SLC6A4 P31645 3/20 0.67
CYP2C19 P33261 2/20 0.57
ITGA5 P08648 1/20 0.57
HRH1 P35367 1/20 0.57
CHRNA7 P36544 1/20 0.57
OPRK1 P41145 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL770039 0.83 SLC6A3 (0.78) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL770607 0.80 SLC6A3 (1.00) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL69263 0.77 KDM4E (0.62) CYP2C19ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2890548 0.76 KDM4E (0.51) CYP2C19ALDH1A1SMN1; SMN2KDM4ES1PR1
SCHEMBL5781341 0.76 KDM4E (0.49) CYP2C19ALDH1A1SMN1; SMN2KDM4ES1PR1
Hydrochloric Acid SCHEMBL11115701 0.75 SLC6A3 (0.58) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL6243384 0.75 KDM4E (0.50) CYP2C19ALDH1A1SMN1; SMN2KDM4ES1PR1
SCHEMBL1483403 0.75 TSHR (0.55) ALDH1A1SMN1; SMN2KDM4ES1PR1S1PR3
SCHEMBL770391 0.75 SLC6A3 (0.67) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL29606273 0.75 TSHR (0.55) ALDH1A1SMN1; SMN2KDM4ES1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356165-A Bupropion radioimmunoassay, and kit BURROUGHS WELLCOME CO. (US) 1982-10-26 US claimed
US-4356165-A Bupropion radioimmunoassay, and kit BURROUGHS WELLCOME CO. (US) 1982-10-26 US disclosed
US-4355179-A Radioactive nuclide labeled propiophenone compounds BURROUGHS WELLCOME CO. (US) 1982-10-19 US disclosed
US-4347177-A Compounds and methods of making them BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347382-A 3H Labeled compounds BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347176-A Compounds and methods of making same BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347178-A Compounds and methods of making BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
EP-0038071-A2 New unlabelled and radioactive labelled derivatives of butylamino propiophenone, their preparation, immunogens obtained from the unlabelled derivatives and a process for immunogen preparation, antisera raised using the immunogens and a method for raising antisera, a radioimmunoassay method and a test kit for use in the assay method THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-21 EP disclosed