SCHEMBL6447459

SCHEMBL6447459

CN1CCCCC(CCCl)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 3/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRM5 P08912 2/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 2/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
DRD1 P21728 2/20 0.34
ADRA1A P35348 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ABCB11 O95342 1/20 0.34
CHRM4 P08173 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL7547551 0.94 KCNH2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3CHRM5
SCHEMBL6941803 0.85
SCHEMBL6941178 0.85
SCHEMBL6941808 0.85
Hydrochloric Acid SCHEMBL25367388 0.83 NCF1 (0.43) SLC6A3CHRM2CHRM1HRH3CHRM3
SCHEMBL20310062 0.76 CHRNB2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3CHRM5
SCHEMBL6949366 0.76
SCHEMBL19020690 0.76 CHRM5 (0.39) SLC6A2SLC6A4KCNH2SLC6A3CHRM5
SCHEMBL6949372 0.76
SCHEMBL734075 0.76

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
US-6858679-B2 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION (US) 2005-02-22 US disclosed
US-20030153693-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions QUIRK RODERIC PAUL (US) 2003-08-14 US disclosed
US-6605564-B1 Anionic polymerization initiators and salt additives selected from sodium chloride, sodium iodide, potassium chloride, potassium t-butoxide, for increasing the efficiency of reactions between living polymer anions and electrophiles FMC CORPORATION 2003-08-12 US disclosed
US-20020010082-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION 2002-01-24 US disclosed
US-6184338-B1 USEFUL IN THE PREPARATION OF TERTIARY AMINE CONTAINING POLYMERS, INCLUDING LINEAR, HOMOTELECHELIC, HETEROTELECHELIC AND RADIAL POLYMERS. FMC CORPORATION 2001-02-06 US disclosed