SCHEMBL1706541

SCHEMBL1706541

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

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.79
HTR1A P08908 7/20 0.68
HTR7 P34969 6/20 0.68
DRD2 P14416 3/20 0.68
HTR2A P28223 2/20 0.68
HTR6 P50406 2/20 0.68
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
TSHR P16473 1/20 0.67
CACNA1G O43497 1/20 0.65
SIGMAR1 Q99720 1/20 0.64
DRD4 P21917 1/20 0.62

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
SCHEMBL5009485 0.89 HTR1A (0.75) KCNH2HTR1AHTR7ALDH1A1SMN1; SMN2
SCHEMBL4525555 0.89 KCNH2 (1.00) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL13019474 0.88 KCNH2 (0.77) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL5848982 0.86 KCNH2 (0.75) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL30767216 0.84 KCNH2 (0.90) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL3187888 0.84 KCNH2 (0.74) KCNH2HTR1AHTR7DRD2HTR2A
SCHEMBL7484502 0.83 KCNH2 (0.83) KCNH2HTR1AHTR7DRD2HTR2A
Hypochlorous Acid SCHEMBL4929365 0.83 SIGMAR1 (0.65) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL1706148 0.83 KCNH2 (0.68) KCNH2HTR1AHTR7DRD2HTR2A
Hydrochloric Acid SCHEMBL7658247 0.83 KCNH2 (0.88) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476029-B2 MCPP immunoassay RANDOX LABORATORIES LTD (GB) 2013-07-02 US claimed
US-20120135434-A1 MCPP IMMUNOASSAY RANDOX LABORATORIES LTD. (UK) 2012-05-31 US claimed
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
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