SCHEMBL4749302

SCHEMBL4749302

COCCN1C[C@H](C(=O)N2CCC(OC)CC2)C(c2cccc(F)c2C)[C@H](C(=O)N2CCC(OC)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.45
RBP4 P02753 3/20 0.39
KMT2A Q03164 2/20 0.36
GSK3B P49841 2/20 0.36
LYN P07948 1/20 0.36
GRK2 P25098 1/20 0.36
CLK1 P49759 1/20 0.36
GSK3A P49840 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK7 Q13164 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ERBB2 P04626 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL4752746 0.93 MC4R (0.44) MC4RRBP4KMT2AGSK3BLMNA
SCHEMBL4752007 0.89 MC4R (0.45) MC4RRBP4KMT2ALMNA
SCHEMBL4751974 0.86 MC4R (0.37) MC4RRBP4KMT2AGSK3BLYN
SCHEMBL4749130 0.85 MC4R (0.44) MC4RRBP4KMT2A
SCHEMBL4751347 0.85 MC4R (0.44) MC4RRBP4KMT2A
SCHEMBL4751369 0.83 MC4R (0.42) MC4RRBP4KMT2AGSK3BLYN
SCHEMBL4776626 0.83 MC4R (0.44) MC4RRBP4KMT2A
SCHEMBL4776650 0.83 MC4R (0.44) MC4RRBP4KMT2ALMNA
SCHEMBL4751319 0.83 MC4R (0.41) MC4RRBP4KMT2AHRH3
SCHEMBL4794920 0.82 MC4R (0.44) MC4RRBP4KMT2A

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