SCHEMBL4749520

SCHEMBL4749520

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCO)C[C@H]1C(=O)N1CCC[C@H]1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
KDM2B Q8NHM5 7/20 0.32
ESRRG P62508 2/20 0.32
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4752003 0.92 BCHE (0.34) SCN9AKDM2B
SCHEMBL4752006 0.92 BCHE (0.34) SCN9AKDM2B
SCHEMBL4019044 0.92 BCHE (0.34) SCN9AKDM2B
SCHEMBL4749051 0.91 HTR1A (0.32) SCN9AKDM2B
SCHEMBL4028513 0.90 BCHE (0.35) SCN9AKDM2B
SCHEMBL4022533 0.90 BCHE (0.35) SCN9AKDM2B
SCHEMBL4022836 0.90 BCHE (0.35) SCN9AKDM2B
SCHEMBL4020878 0.90 SCN9A (0.32) SCN9AKDM2B
SCHEMBL4028516 0.90 BCHE (0.35) SCN9AKDM2B
SCHEMBL13721158 0.90 BCHE (0.35) SCN9AKDM2B

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 claimed