SCHEMBL4751692

SCHEMBL4751692

Cc1c(F)cccc1C1C(C(=O)c2cccc(CO)c2)CN(CCCCN(C)C)CC1C(=O)N1CCC[C@H]1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM2B Q8NHM5 2/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TACR1 P25103 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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) SCN9AKDM2BACHEMEN1KMT2A
SCHEMBL4019044 0.92 BCHE (0.34) SCN9AKDM2BACHEMEN1KMT2A
SCHEMBL4752006 0.92 BCHE (0.34) SCN9AKDM2BACHEMEN1KMT2A
SCHEMBL4751838 0.91 KIF11 (0.34) SCN9AACHE
SCHEMBL4749467 0.91 KIF11 (0.34) SCN9AACHE
SCHEMBL4751839 0.91 KIF11 (0.34) SCN9AACHE
SCHEMBL4749435 0.91 KIF11 (0.34) SCN9AACHE
SCHEMBL4749462 0.91 KIF11 (0.34) SCN9AACHE
SCHEMBL4749135 0.89 SLC6A5 (0.32) SCN9AKDM2BACHEMEN1KMT2A
SCHEMBL4028516 0.87 BCHE (0.35) SCN9AKDM2BMEN1KMT2ATACR1

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