SCHEMBL13601676

SCHEMBL13601676

CCCOC(=O)C(=O)N1CCC(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.48
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LIPE Q05469 1/20 0.37
ACHE P22303 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL13601680 0.90 HPGD (0.56) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL13601682 0.87 HPGD (0.50) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL13601675 0.86 MAPT (0.70) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL13601693 0.83 MAPT (0.46) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL14293823 0.82 GAA (0.50) GAAHPGDALDH1A1NPC1L3MBTL1
SCHEMBL13601690 0.81 MAPT (0.44) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL13601724 0.79 MAPT (0.44) MAPTGAAALDH1A1NPC1L3MBTL1
SCHEMBL15139529 0.77 POLB (0.45) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL28795016 0.76 LMNA (0.45) MAPTGAAHPGDALDH1A1NPC1
SCHEMBL13601702 0.76 MAPT (0.49) MAPTGAAHPGDALDH1A1NPC1

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