SCHEMBL4751746

SCHEMBL4751746

Cc1cccc(C(=O)C2CN(CCCCN(C)C)CC(C(=O)c3cccc(O)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
HTR7 P34969 5/20 0.34
MGLL Q99685 2/20 0.33
KDR P35968 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
DRD4 P21917 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL4751741 1.00 KIF11 (0.35) KIF11HTR7MGLLKDRBCHE
SCHEMBL4025347 0.96 KIF11 (0.37) KIF11HTR7KDRBCHEACHE
SCHEMBL4023151 0.95 HTR7 (0.37) KIF11HTR7KDRBCHEACHE
SCHEMBL4019102 0.95 ACHE (0.37) KIF11HTR7MGLLKDRBCHE
SCHEMBL4749359 0.94 MGLL (0.41) KIF11HTR7MGLLKDRBCHE
SCHEMBL4752854 0.94 MGLL (0.41) KIF11HTR7MGLLKDRBCHE
SCHEMBL4752081 0.94 KIF11 (0.35) KIF11HTR7KDRBCHEACHE
SCHEMBL4749461 0.94 KIF11 (0.39) KIF11HTR7MGLLBCHEKDM4E
SCHEMBL4749505 0.94 KIF11 (0.35) KIF11HTR7KDRBCHEACHE
SCHEMBL4749456 0.94 KIF11 (0.39) KIF11HTR7MGLLBCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed