SCHEMBL4752854

SCHEMBL4752854

Cc1ccc(C(=O)[C@@H]2CN(CCCCN(C)C)C[C@H](C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 1/20 0.34
HTR1A P08908 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD2 P14416 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR7 P34969 4/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
KDR P35968 1/20 0.33
HSP90B1 P14625 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
SCHEMBL4749359 1.00 MGLL (0.41) MGLLMEN1KMT2AKIF11HTR1A
SCHEMBL4749225 0.96 MGLL (0.37) MGLLMEN1KMT2AKIF11HTR1A
SCHEMBL4749232 0.96 MGLL (0.37) MGLLMEN1KMT2AKIF11HTR1A
SCHEMBL4025347 0.96 KIF11 (0.37) KIF11HTR1ADRD1DRD4DRD2
SCHEMBL4751333 0.95 MEN1 (0.38) MGLLMEN1KMT2AKIF11DRD2
SCHEMBL4751837 0.95 MEN1 (0.38) MGLLMEN1KMT2AKIF11DRD2
SCHEMBL4749456 0.95 KIF11 (0.39) MGLLMEN1KMT2AKIF11HTR7
SCHEMBL4749461 0.95 KIF11 (0.39) MGLLMEN1KMT2AKIF11HTR7
SCHEMBL4023151 0.95 HTR7 (0.37) KIF11HTR1ADRD1DRD4DRD2
SCHEMBL4751746 0.94 KIF11 (0.35) MGLLKIF11HTR1ADRD1DRD4

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