SCHEMBL6445222

SCHEMBL6445222

CCN1CCC(CCCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 2/20 0.40
HTR4 Q13639 1/20 0.36
GNAO1 P09471 1/20 0.36
EPHX1 P07099 2/20 0.36
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
ACHE P22303 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CCR3 P51677 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL31273888 0.85 HRH3 (0.49) HRH3SMN1; SMN2HSD11B1HTR4GNAO1
SCHEMBL6445015 0.83 GNAO1 (0.45) HRH3HTR4GNAO1EPHX1EPHX2
SCHEMBL6444283 0.81 SMN1; SMN2 (0.43) HRH3SMN1; SMN2HSD11B1HTR4EPHX1
SCHEMBL28149564 0.81 HRH3 (0.46) HRH3SMN1; SMN2HSD11B1GNAO1EPHX1
SCHEMBL70799 0.81 HRH3 (0.46) HRH3SMN1; SMN2HSD11B1GNAO1EPHX1
SCHEMBL31273045 0.81 HRH3 (0.46) HRH3SMN1; SMN2HSD11B1GNAO1EPHX1
Hydrochloric Acid SCHEMBL30330895 0.79 HRH3 (0.45) HRH3SMN1; SMN2HSD11B1GNAO1EPHX1
Fluoride SCHEMBL29252579 0.79 HRH3 (0.45) HRH3SMN1; SMN2HSD11B1GNAO1EPHX1
SCHEMBL4383559 0.77 SMN1; SMN2 (0.45) HRH3SMN1; SMN2HSD11B1HTR4GNAO1
SCHEMBL12112146 0.77 CYP1A2 (0.54) HRH3SMN1; SMN2HSD11B1GNAO1CHRM4

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