SCHEMBL1706148

SCHEMBL1706148

CCOC(=O)CCCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.68
HTR1A P08908 5/20 0.60
HTR7 P34969 5/20 0.60
DRD2 P14416 3/20 0.60
HTR2A P28223 2/20 0.60
HTR6 P50406 2/20 0.60
DRD4 P21917 1/20 0.58
CACNA1G O43497 1/20 0.58
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL10759929 0.95 KCNH2 (0.64) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL10763277 0.91 HTR1A (0.65) KCNH2HTR1AHTR7HTR2A
SCHEMBL1375341 0.86 ALDH1A1 (0.65) HTR1AHTR7
SCHEMBL1374761 0.86 ALDH1A1 (0.65) HTR1AHTR7
SCHEMBL13019474 0.84 KCNH2 (0.77) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL4932317 0.84 KCNH2 (0.53) KCNH2HTR1AHTR7DRD2DRD4
SCHEMBL1706541 0.83 KCNH2 (0.79) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL10759276 0.83 TSHR (0.61) KCNH2HTR1AHTR7
SCHEMBL10759040 0.83 DRD4 (0.47) KCNH2HTR1ADRD2HTR2ADRD4
SCHEMBL4525555 0.83 KCNH2 (1.00) KCNH2HTR1AHTR7DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440938-B1 mCPP IMMUNOASSAY RANDOX LAB LTD (GB) 2015-03-11 EP disclosed
EP-2261259-B1 Immunoassay for N-(3-chlorophenyl)piperazine-based anti-depressants RANDOX LAB LTD (GB) 2014-07-30 EP disclosed
US-8476029-B2 MCPP immunoassay RANDOX LABORATORIES LTD (GB) 2013-07-02 US disclosed
US-20120135434-A1 MCPP IMMUNOASSAY RANDOX LABORATORIES LTD. (UK) 2012-05-31 US disclosed
EP-2440938-A1 mCPP IMMUNOASSAY Randox Laboratories Ltd. (GB) 2012-04-18 EP disclosed
WO-2010142974-A1 mCPP IMMUNOASSAY RANDOX LABORATORIES LTD (GB) 2010-12-16 WO disclosed
EP-2261259-A1 Immunoassay for N-(3-chlorophenyl)piperazine-based anti-depressants Randox Laboratories Ltd. (GB) 2010-12-15 EP disclosed