SCHEMBL13601675

SCHEMBL13601675

CCOC(=O)C(=O)N1CCC(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
GAA P10253 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.44
ATM Q13315 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.42
MEN1 O00255 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
SCHEMBL13601676 0.86 MAPT (0.53) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL12496523 0.84 MAPT (0.67) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL23167854 0.84 GAA (0.69) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL13601680 0.83 HPGD (0.56) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL1267094 0.82 GAA (0.65) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL12418600 0.82 MAPT (0.49) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL13601702 0.82 MAPT (0.49) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL12881458 0.81 MAPT (0.64) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL13601682 0.80 HPGD (0.50) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL6331933 0.80 MAPT (0.62) MAPTGAAL3MBTL1ALDH1A1NPC1

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
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed