SCHEMBL6445015

SCHEMBL6445015

CCCN1CCC(CCCl)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 2/20 0.45
DRD2 P14416 6/20 0.44
KCNH2 Q12809 1/20 0.39
HTR4 Q13639 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL7741719 0.85 GNAO1 (0.49) GNAO1DRD2HRH3EPHX1EPHX2
SCHEMBL6444126 0.83 DRD2 (0.47) GNAO1DRD2KCNH2EPHX1EPHX2
SCHEMBL31273549 0.83 GNAO1 (0.51) GNAO1DRD2KCNH2HRH3GNAI3
SCHEMBL31273564 0.83 GNAO1 (0.51) GNAO1DRD2KCNH2HRH3GNAI3
Fluoride SCHEMBL30330474 0.83 GNAO1 (0.47) GNAO1DRD2HRH3EPHX1EPHX2
SCHEMBL6445222 0.83 HRH3 (0.44) GNAO1HTR4HRH3EPHX1EPHX2
SCHEMBL25700795 0.81 GNAO1 (0.50) GNAO1DRD2HRH3EPHX1EPHX2
SCHEMBL5197870 0.81 GNAO1 (0.54) GNAO1DRD2KCNH2HRH3GNAI3
SCHEMBL24207660 0.79 GNAO1 (0.45) GNAO1DRD2HTR4HRH3EPHX1
SCHEMBL7321853 0.79 GNAO1 (0.45) GNAO1DRD2HTR4HRH3EPHX1

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 6 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-6545103-B2 Living polymers FMC CORPORATION 2003-04-08 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