SCHEMBL11111052

SCHEMBL11111052

[3H]c1c(Cl)cccc1C1=NC(C)(C)CO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 4/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ROCK1 Q13464 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8491691 0.84 HPGD (0.55) KDM4EHPGDHRH3HTTLMNA
SCHEMBL471881 0.79 KDM4E (0.62) KDM4EHPGDHRH3HTTLMNA
SCHEMBL8444082 0.78 KDM4E (0.50) KDM4EHPGDHRH3HTTLMNA
SCHEMBL3762622 0.77 KDM4E (0.51) KDM4EHPGDHRH3HTTLMNA
SCHEMBL342910 0.77 KDM4E (0.59) KDM4EHPGDHRH3HTTLMNA
SCHEMBL20410843 0.76 KDM4E (0.59) KDM4EHPGDHRH3HTTLMNA
Hydrochloric Acid SCHEMBL11553058 0.75 KDM4E (0.58) KDM4EHPGDHRH3HTTLMNA
SCHEMBL8442835 0.75 KDM4E (0.50) KDM4EHPGDHRH3HTTLMNA
SCHEMBL5165520 0.74 HPGD (0.45) KDM4EHPGDHRH3HTTLMNA
SCHEMBL471858 0.74 KDM4E (0.60) KDM4EHPGDHRH3HTTLMNA

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
EP-0038071-B1 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) 1984-11-14 EP disclosed
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