SCHEMBL3846302

SCHEMBL3846302

O=C(c1ccc(Oc2cccc(F)c2)cc1)N1CCC(N2CCCC2)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 9/20 0.60
L3MBTL3 Q96JM7 9/20 0.60
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 5/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 1/20 0.55
PARP10 Q53GL7 4/20 0.54
PARP14 Q460N5 3/20 0.53
MBTD1 Q05BQ5 5/20 0.53
TP53BP1 Q12888 1/20 0.52
L3MBTL4 Q8NA19 1/20 0.52
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL1736227 1.00 L3MBTL1 (0.60) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL1735977 0.99 L3MBTL1 (0.59) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL3843544 0.99 L3MBTL1 (0.59) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL3862100 0.89 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL1735966 0.89 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL1735976 0.89 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL3846297 0.89 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL1735125 0.87 L3MBTL3 (0.71) L3MBTL1L3MBTL3HRH3MEN1KMT2A
SCHEMBL3841287 0.87 L3MBTL3 (0.71) L3MBTL1L3MBTL3HRH3MEN1KMT2A
SCHEMBL3882975 0.87 L3MBTL3 (0.60) L3MBTL1L3MBTL3TDP1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 EP claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 WO claimed