SCHEMBL14127444

SCHEMBL14127444

CCCCCC(CCCC)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
DNM1 Q05193 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
FDPS P14324 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 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
SCHEMBL22877461 0.98 HRH3 (0.42) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL27942620 0.98 DNM1 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL2146708 0.98 DNM1 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL20473731 0.98 DNM1 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL902604 0.98 DNM1 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL14127405 0.98 DNM1 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL27656287 0.98 HRH3 (0.42) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL2872599 0.98 L3MBTL1 (0.38) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL29107081 0.96 HRH3 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1
SCHEMBL27902165 0.96 HRH3 (0.41) HRH3DNM1L3MBTL1MAPTMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074890-B Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2019-09-24 CN disclosed
CN-107074890-A Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2017-08-18 CN disclosed
CN-103687863-B The compound that contains alkyl-cyano group-borate or alkyl-cyano group-fluoboric acid root anion MERCK PATENT GMBH (DE) 2016-05-11 CN disclosed
CN-103687863-A Compounds containing alkyl-cyano-borate or alkyl-cyano-fluoroborate anions MERCK PATENT GMBH 2014-03-26 CN disclosed
CN-103597646-A Electrolyte formulations MERCK PATENT GMBH 2014-02-19 CN disclosed
CN-103140905-A Electrolyte formulations MERCK PATENT GMBH 2013-06-05 CN disclosed
CN-103124736-A Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH 2013-05-29 CN disclosed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
CN-102652138-A Compounds with (perfluoralkyl)fluoro-hydrogenphosphate anions MERCK PATENT GMBH 2012-08-29 CN disclosed