SCHEMBL6442159

SCHEMBL6442159

ClCCCCCCN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.70
MAPT P10636 1/20 0.48
SIGMAR1 Q99720 2/20 0.45
CXCR4 P61073 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6443177 1.00 HRH3 (0.70) HRH3MAPTSIGMAR1CXCR4MEN1
SCHEMBL6447947 0.97 HRH3 (0.75) HRH3MAPTSIGMAR1CYP1A2
SCHEMBL6444053 0.97 HRH3 (0.75) HRH3MAPTSIGMAR1CYP1A2
SCHEMBL6442289 0.97 HRH3 (0.75) HRH3MAPTSIGMAR1CYP1A2
SCHEMBL6443349 0.97 HRH3 (0.75) HRH3MAPTSIGMAR1CYP1A2
SCHEMBL6442647 0.97 HRH3 (0.65) HRH3MAPTSIGMAR1CXCR4CYP1A2
Hydrochloric Acid SCHEMBL10473504 0.95 HRH3 (0.71) HRH3MAPTSIGMAR1CYP1A2
SCHEMBL2747040 0.95 HRH3 (0.70) HRH3MAPTSIGMAR1CYP1A2L3MBTL1
Hydrochloric Acid SCHEMBL8490153 0.95 HRH3 (0.62) HRH3MAPTSIGMAR1CYP1A2CYP2D6
SCHEMBL6444083 0.95 HRH3 (0.70) HRH3MAPTSIGMAR1CYP1A2L3MBTL1

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-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