SCHEMBL6026147

SCHEMBL6026147

CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.56
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 2/20 0.42
HPGD P15428 2/20 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
SCHEMBL6082602 0.88 CACNA2D1 (0.59) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082653 0.88 CACNA2D1 (0.59) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6025807 0.88 CACNA2D1 (0.51) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082444 0.86 CACNA2D1 (0.55) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082629 0.86 CACNA2D1 (0.51) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6026332 0.85 CACNA2D1 (0.73) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6081986 0.83 HTT (0.52) CACNA2D1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6082598 0.81 CACNA2D1 (0.52) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082187 0.81 CACNA2D1 (0.54) CACNA2D1PDE4APDE4BPDE4CPDE4D
SCHEMBL6082948 0.78 CACNA2D1 (0.56) CACNA2D1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539180-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1539180-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-06-15 EP disclosed
WO-2004018058-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-03-04 WO disclosed