SCHEMBL4608417

SCHEMBL4608417

CC(C)CN1CCC(C(=O)O)CC1c1nccc(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PANK3 Q9H999 1/20 0.34
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR1 P21453 4/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SYK P43405 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.31
PTGDR Q13258 2/20 0.31
S1PR5 Q9H228 1/20 0.31
TACR3 P29371 1/20 0.31

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
SCHEMBL4608418 0.72 PANK3 (0.41) LMNAHTTPANK3NOTUMKDM4E
SCHEMBL24738035 0.66 FFAR1 (0.46) MAPTL3MBTL1POLBKMT2A
SCHEMBL3531018 0.62 PANK3 (0.49) LMNAPANK3MAPTKDM4ECYP2C19
SCHEMBL27943345 0.60 LMNA (0.39) LMNAHTTMAPTL3MBTL1KDM4E
SCHEMBL26558927 0.59 CFB (0.49)
SCHEMBL26550879 0.59 CFB (0.49)
SCHEMBL321619 0.59 PIK3CD (0.50) LMNAL3MBTL1KDM4EALDH1A1POLB
SCHEMBL5701940 0.59 RAB9A (0.42) LMNAMAPTKDM4EPOLB
SCHEMBL5702070 0.59 RAB9A (0.42) LMNAMAPTKDM4EPOLB
SCHEMBL11543098 0.59 RAB9A (0.42) LMNAMAPTKDM4EPOLB

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-1877385-A1 PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
WO-2006119451-A1 PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-09 WO disclosed