SCHEMBL4778087

SCHEMBL4778087

Cc1cccc(C2C(C(=O)c3ccccc3)CN(CCCN(C)C)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ACHE P22303 1/20 0.36
GRIN2B Q13224 1/20 0.36
P2RX7 Q99572 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL4780097 0.94 KIF11 (0.41) KIF11KCNH2HRH3ACHEP2RX7
SCHEMBL4773635 0.88 KCNH2 (0.40) KIF11KCNH2
SCHEMBL4775780 0.88 KCNH2 (0.40) KIF11KCNH2
SCHEMBL4752782 0.88 KIF11 (0.42) KIF11
SCHEMBL4752779 0.88 KIF11 (0.42) KIF11
SCHEMBL4780721 0.87 KIF11 (0.46) KIF11KCNH2
SCHEMBL4776368 0.87 KIF11 (0.46) KIF11KCNH2
SCHEMBL4025178 0.86 KIF11 (0.45) KIF11KCNH2HRH3ACHEGRIN2B
SCHEMBL4776377 0.85 KCNH2 (0.42) KIF11KCNH2
SCHEMBL4780207 0.85 L3MBTL1 (0.37) KIF11KCNH2

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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed