SCHEMBL14528966

SCHEMBL14528966

O=C(O)c1ccccc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.59
L3MBTL1 Q9Y468 9/20 0.59
TP53BP1 Q12888 4/20 0.59
MBTD1 Q05BQ5 4/20 0.57
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
NPY2R P49146 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
L3MBTL4 Q8NA19 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL2492855 0.84 NPC1 (0.68) L3MBTL1TDP1NPC1KDM4EPTPN1
SCHEMBL29467270 0.84 NPC1 (0.68) L3MBTL1TDP1NPC1KDM4EPTPN1
SCHEMBL227731 0.82 NPC1 (0.71) L3MBTL1NPC1KDM4EPTPN1
SCHEMBL1715918 0.82 NPC1 (0.71) L3MBTL1NPC1KDM4EPTPN1
SCHEMBL722824 0.82 L3MBTL1 (0.63) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL6829549 0.81 NOTUM (0.51) L3MBTL1TDP1NPC1PTPN1
SCHEMBL27676401 0.81 ALDH1A1 (0.48) L3MBTL1TDP1NPC1PTPN1
SCHEMBL15533384 0.81 ALDH1A1 (0.48) L3MBTL1TDP1KMT2ANPC1PTPN1
SCHEMBL8048603 0.80 ALDH1A1 (0.61) L3MBTL1TDP1MEN1KMT2ANPC1
SCHEMBL6650052 0.80 KMT2A (0.60) L3MBTL1TDP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed