SCHEMBL4774113

SCHEMBL4774113

[CH2]Cc1ccc(C[C@@H](CCO)NC(=O)c2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.54
TAS1R3 Q7RTX0 6/20 0.51
TAS1R1 Q7RTX1 6/20 0.51
KIFC1 Q9BW19 1/20 0.44
RORC P51449 1/20 0.42
CSNK2A1 P68400 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKX P51817 1/20 0.39
LIMK1 P53667 1/20 0.39
PRKG2 Q13237 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN2 Q16513 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL2104926 0.89 CENPE (0.56) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL2106289 0.88 CENPE (0.53) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3233445 0.88 CENPE (0.52) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL2105954 0.88 CENPE (0.61) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL14050185 0.87 CENPE (0.50) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL4767530 0.87 CENPE (0.58) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL2104968 0.87 CENPE (0.58) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL2101923 0.86 CENPE (0.51) CENPETAS1R3TAS1R1RORCKCNQ3
SCHEMBL3469159 0.86 CENPE (0.51) CENPETAS1R3TAS1R1RORCKCNQ3
SCHEMBL2101183 0.85 CENPE (0.59) CENPETAS1R3TAS1R1KIFC1RORC

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-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed