SCHEMBL4752779

SCHEMBL4752779

Cc1cccc([C@@H]2[C@@H](C(=O)c3cccc(O)c3)CN(CCCCN(C)C)C[C@H]2C(=O)c2cccc(O)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.42
HTR7 P34969 6/20 0.37
BCHE P06276 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
KDR P35968 1/20 0.35
MGLL Q99685 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
SCHEMBL4752782 1.00 KIF11 (0.42) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4025347 0.90 KIF11 (0.37) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4023151 0.90 HTR7 (0.37) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4019102 0.89 ACHE (0.37) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4751736 0.88 KIF11 (0.35) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4749456 0.88 KIF11 (0.39) KIF11HTR7BCHEMGLL
SCHEMBL4749505 0.88 KIF11 (0.35) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4752741 0.88 KIF11 (0.35) KIF11HTR7BCHEHTR1ADRD2
SCHEMBL4749461 0.88 KIF11 (0.39) KIF11HTR7BCHEMGLL
SCHEMBL4752081 0.88 KIF11 (0.35) KIF11HTR7BCHEHTR1ADRD2

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