SCHEMBL6444751

SCHEMBL6444751

CN1CCC(CCCl)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
ACHE P22303 7/20 0.42
HRH3 Q9Y5N1 2/20 0.41
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
HRH4 Q9H3N8 1/20 0.35
HTR4 Q13639 1/20 0.33
SLC6A3 Q01959 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
Hydrochloric Acid SCHEMBL11714067 0.98 NCF1 (0.50) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL6941178 0.88
SCHEMBL6941803 0.88
SCHEMBL6941808 0.88
Hydrochloric Acid SCHEMBL25367388 0.86 NCF1 (0.43) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL24319800 0.84 NCF1 (0.62) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL1966713 0.79
SCHEMBL11164665 0.79 NCF1 (0.56) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL245769 0.79 NCF1 (0.56) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL6445015 0.78 GNAO1 (0.45) HRH3GNAI3GNAO1GNAI1HTR4

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