SCHEMBL7763371

SCHEMBL7763371

O=C(O)CN1CCC[C@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
SPHK2 Q9NRA0 7/20 0.38
SPHK1 Q9NYA1 7/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRD1 P41143 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL17266473 0.94 LTA4H (0.48) POLBL3MBTL1LTA4HALDH1A1HRH3
SCHEMBL10002487 0.82 POLB (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL7764759 0.82 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL2155920 0.82 POLB (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL499847 0.82 MEN1 (0.44) POLBL3MBTL1LTA4HALDH1A1MEN1
SCHEMBL7764756 0.82 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL2185063 0.82 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL2185067 0.82 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL7764760 0.82 POLB (0.50) POLBL3MBTL1ALDH1A1HRH3SPHK2
SCHEMBL28983612 0.81 LTA4H (0.49) POLBL3MBTL1LTA4HHRH3SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN claimed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN disclosed
EP-1102789-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2001-05-30 EP disclosed
WO-2000008046-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2000-02-17 WO disclosed