SCHEMBL4749232

SCHEMBL4749232

Cc1c(F)cccc1C1C(C(=O)c2ccc(O)cc2)CN(CCCCN(C)C)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HTR7 P34969 4/20 0.34
KDR P35968 1/20 0.33
BCHE P06276 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM2B Q8NHM5 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
SCHEMBL4749225 1.00 MGLL (0.37) MGLLMEN1KMT2AKIF11HTR1A
SCHEMBL4025347 0.96 KIF11 (0.37) KIF11HTR1ADRD2DRD1DRD4
SCHEMBL4752854 0.96 MGLL (0.41) MGLLMEN1KMT2AKIF11HTR1A
SCHEMBL4751837 0.96 MEN1 (0.38) MGLLMEN1KMT2AKIF11DRD2
SCHEMBL4749359 0.96 MGLL (0.41) MGLLMEN1KMT2AKIF11HTR1A
SCHEMBL4751333 0.96 MEN1 (0.38) MGLLMEN1KMT2AKIF11DRD2
SCHEMBL4749456 0.96 KIF11 (0.39) MGLLMEN1KMT2AKIF11HTR7
SCHEMBL4749461 0.96 KIF11 (0.39) MGLLMEN1KMT2AKIF11HTR7
SCHEMBL4023151 0.95 HTR7 (0.37) KIF11HTR1ADRD2DRD1DRD4
SCHEMBL4019102 0.95 ACHE (0.37) MGLLKIF11HTR1ADRD2DRD1

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