SCHEMBL13601702

SCHEMBL13601702

CC1CCN(C(=O)C(=O)OCC(=O)N(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 3/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL12881476 0.84 MAPT (0.46) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL13601675 0.82 MAPT (0.70) MAPTGAAALDH1A1NPC1L3MBTL1
SCHEMBL13601735 0.81 MAPT (0.41) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL12881487 0.80 ACHE (0.45) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL13601693 0.79 MAPT (0.46) MAPTGAAALDH1A1NPC1L3MBTL1
SCHEMBL12881496 0.77 L3MBTL1 (0.41) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL13601690 0.77 MAPT (0.44) MAPTGAAALDH1A1NPC1L3MBTL1
SCHEMBL13601676 0.76 MAPT (0.53) MAPTGAAALDH1A1NPC1L3MBTL1
SCHEMBL13601361 0.75 MAPT (0.38) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL13601680 0.73 HPGD (0.56) MAPTGAAALDH1A1NPC1L3MBTL1

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