Sugi Predict

Sugi Predict / Compounds / SCHEMBL4749462

SCHEMBL4749462

SCHEMBL4749462

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C(F)(F)F)CN(CCCCN(C)C)C[C@H]1C(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ SLC6A1 P30531 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTR7 P34969 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
SCHEMBL4751839 1.00 KIF11 (0.34) KIF11SCN9ASLC6A1HRH3ACHE
SCHEMBL4749467 1.00 KIF11 (0.34) KIF11SCN9ASLC6A1HRH3ACHE
SCHEMBL4751838 1.00 KIF11 (0.34) KIF11SCN9ASLC6A1HRH3ACHE
SCHEMBL4749435 1.00 KIF11 (0.34) KIF11SCN9ASLC6A1HRH3ACHE
SCHEMBL4749135 0.94 SLC6A5 (0.32) KIF11SCN9AACHE
SCHEMBL4752003 0.93 BCHE (0.34) SCN9AACHEHTR7
SCHEMBL4752006 0.93 BCHE (0.34) SCN9AACHEHTR7
SCHEMBL4019044 0.93 BCHE (0.34) SCN9AACHEHTR7
SCHEMBL4751692 0.91 SCN9A (0.31) SCN9AACHE
SCHEMBL4749070 0.91 SLC6A1 (0.36) KIF11SCN9ASLC6A1ACHEALDH1A1

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