SCHEMBL8804601

SCHEMBL8804601

CCN(CC)c1ccc(CN2CCC(N)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KDM4E B2RXH2 4/20 0.67
GFER P55789 3/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ACHE P22303 2/20 0.53
TDP1 Q9NUW8 4/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MCL1 Q07820 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
SPHK1 Q9NYA1 1/20 0.44
LTA4H P09960 1/20 0.44
CCR5 P51681 2/20 0.43
PSMD14 O00487 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL11353029 0.85 ALDH1A1 (0.83) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL1509619 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL25541644 0.82 POLB (0.58) ALDH1A1KDM4EMEN1KMT2AACHE
SCHEMBL23179687 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL8803675 0.79 ALDH1A1 (0.73) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL3614984 0.78 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AACHEL3MBTL1
SCHEMBL8099793 0.78 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AACHEL3MBTL1
SCHEMBL23179683 0.77 KDM4E (0.48) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL1021686 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AACHE
SCHEMBL3181878 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AACHEHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed