SCHEMBL1762501

SCHEMBL1762501

C=CCC1(C(=O)O)CCCN1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A1 P30531 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1762504 1.00 NPSR1 (0.40) NPSR1HPGDCD274MAPK1NPC1
SCHEMBL3274679 0.86 GAA (0.42) HPGDMAPK1RAB9AMEN1ALDH1A1
SCHEMBL3274678 0.86 GAA (0.42) HPGDMAPK1RAB9AMEN1ALDH1A1
SCHEMBL1499833 0.81 NPC1 (0.42) HPGDNPC1ALDH1A1POLB
SCHEMBL9733790 0.79 CD274 (0.33) CD274NPC1RAB9AMEN1ALDH1A1
SCHEMBL7522381 0.79
SCHEMBL7522379 0.79
SCHEMBL7522377 0.79
SCHEMBL31106410 0.78 HPGD (0.45) NPSR1HPGDMAPK1ALDH1A1
SCHEMBL8506510 0.78 HPGD (0.45) NPSR1HPGDMAPK1ALDH1A1

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-2242364-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIROÝ4.4¨NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS Targacept Inc. (US) 2010-10-27 EP claimed
WO-2009091561-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4] NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS TARGACEPT, INC. (US) 2009-07-23 WO claimed
US-20110118239-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4]NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS TARGACEPT, INC. (US) 2011-05-19 US disclosed
EP-2242364-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIROÝ4.4¨NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS Targacept Inc. (US) 2010-10-27 EP disclosed
WO-2009091561-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4] NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS TARGACEPT, INC. (US) 2009-07-23 WO disclosed