SCHEMBL4749476

SCHEMBL4749476

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCN(C)C)C[C@H]1C(=O)c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
HTR7 P34969 5/20 0.34
BCHE P06276 2/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 3/20 0.33
MGLL Q99685 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC1R Q01726 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 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
SCHEMBL4749478 1.00 KIF11 (0.35) KIF11HTR7BCHEKDRMEN1
SCHEMBL4025347 0.96 KIF11 (0.37) KIF11HTR7BCHEKDRACHE
SCHEMBL4023151 0.95 HTR7 (0.37) KIF11HTR7BCHEKDRACHE
SCHEMBL4019102 0.95 ACHE (0.37) KIF11HTR7BCHEKDRACHE
SCHEMBL4751333 0.94 MEN1 (0.38) KIF11MEN1KMT2AMGLLDRD2
SCHEMBL4751837 0.94 MEN1 (0.38) KIF11MEN1KMT2AMGLLDRD2
SCHEMBL4751736 0.94 KIF11 (0.35) KIF11HTR7BCHEKDRACHE
SCHEMBL4749461 0.94 KIF11 (0.39) KIF11HTR7BCHEMEN1KMT2A
SCHEMBL4749456 0.94 KIF11 (0.39) KIF11HTR7BCHEMEN1KMT2A
SCHEMBL4749505 0.94 KIF11 (0.35) KIF11HTR7BCHEKDRACHE

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