SCHEMBL6920752

SCHEMBL6920752

CCOC(CCCN1CCCCC1)OCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH1 P35367 1/20 0.35

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
SCHEMBL9430413 0.98 HRH3 (0.43) HRH3ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL9077800 0.78 HRH3 (0.46) HRH3ALDH1A1L3MBTL1MAPTCYP1A2
SCHEMBL1637997 0.75 MEN1 (0.44) HRH3ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL16172041 0.74 LTA4H (0.49) HRH3ALDH1A1L3MBTL1
SCHEMBL9075801 0.74 HRH3 (0.41) HRH3ALDH1A1MAPTCYP1A2MAPK1
SCHEMBL9313742 0.73 HRH3 (0.42) HRH3ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL172955 0.73 HRH3 (0.56) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL439729 0.73 HRH3 (0.56) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL21348734 0.72 HRH3 (0.50) HRH3L3MBTL1MAPTCYP1A2MAPK1
SCHEMBL15709972 0.72 PTPN1 (0.54) HRH3ALDH1A1CYP1A2MAPK1SMN1; SMN2

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
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
EP-2951188-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS Evonik Degussa GmbH (DE) 2015-12-09 EP disclosed
WO-2014118038-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK INDUSTRIES AG (DE) 2014-08-07 WO disclosed
WO-2003101931-A2 PREPARATION OF 4-(N, N-DISUBSTITUTEDAMINO) BUTYRALDEHYDE ACETALS NATCO PHARMA LIMITED (IN) 2003-12-11 WO disclosed