SCHEMBL6590180

SCHEMBL6590180

O=c1oc2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c2c2c1C(c1ccccc1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 8/20 0.37
HPGD P15428 8/20 0.37
HSD17B10 Q99714 7/20 0.37
USP2 O75604 2/20 0.37
MAOB P27338 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NFKB1 P19838 1/20 0.35
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6585761 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL6585977 0.81 MEN1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAOB
SCHEMBL6589426 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL6583611 0.73 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL6586437 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MAOB
SCHEMBL6584234 0.72 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL6587683 0.69 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MAOB
SCHEMBL6586629 0.67 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL26434311 0.65 NPC1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAOB
SCHEMBL23493990 0.64 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US claimed
EP-1001774-B1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORP (FI) 2004-09-15 EP disclosed
US-6774103-B1 Compounds for deactivating phospholamban function on Ca-ATPase (phospholamban inhibitors) ORION CORPORATION (FI) 2004-08-10 US disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1017691-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (ORION-YHTYMA OY) (FI) 2000-07-12 EP disclosed
EP-1001774-A1 USE OF PHOSPHOLAMBAN INHIBITORS TO INCREASING CORONARY FLOW ORION CORPORATION (FI) 2000-05-24 EP disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999030696-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 1999-06-24 WO disclosed
WO-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 WO disclosed