SCHEMBL4749070

SCHEMBL4749070

Cc1ccccc1C(=O)C1CN(CCCCN(C)C)CC(C(=O)N2CCC[C@H]2C(F)(F)F)C1c1cccc(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SCN9A Q15858 2/20 0.33
KIF11 P52732 1/20 0.33
OPRM1 P35372 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4749434 0.93 SCN9A (0.33) SLC6A1MEN1KMT2ASCN9AKIF11
SCHEMBL4749467 0.91 KIF11 (0.34) SLC6A1SCN9AKIF11ALDH1A1ACHE
SCHEMBL4751838 0.91 KIF11 (0.34) SLC6A1SCN9AKIF11ALDH1A1ACHE
SCHEMBL4749462 0.91 KIF11 (0.34) SLC6A1SCN9AKIF11ALDH1A1ACHE
SCHEMBL4749435 0.91 KIF11 (0.34) SLC6A1SCN9AKIF11ALDH1A1ACHE
SCHEMBL4751839 0.91 KIF11 (0.34) SLC6A1SCN9AKIF11ALDH1A1ACHE
SCHEMBL4749135 0.88 SLC6A5 (0.32) MEN1KMT2ASCN9AKIF11ACHE
SCHEMBL4019044 0.87 BCHE (0.34) MEN1KMT2ASCN9AACHE
SCHEMBL4752003 0.87 BCHE (0.34) MEN1KMT2ASCN9AACHE
SCHEMBL4752006 0.87 BCHE (0.34) MEN1KMT2ASCN9AACHE

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