SCHEMBL4752006

SCHEMBL4752006

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)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
HTR7 P34969 3/20 0.32
SCN9A Q15858 2/20 0.31
KDM2B Q8NHM5 2/20 0.31
ACHE P22303 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
TACR1 P25103 1/20 0.31
SLC6A5 Q9Y345 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 1.00 BCHE (0.34) BCHEHTR7SCN9AKDM2BACHE
SCHEMBL4019044 1.00 BCHE (0.34) BCHEHTR7SCN9AKDM2BACHE
SCHEMBL4022836 0.96 BCHE (0.35) BCHESCN9AKDM2BTACR1SLC6A5
SCHEMBL4022533 0.96 BCHE (0.35) BCHESCN9AKDM2BTACR1SLC6A5
SCHEMBL13721158 0.96 BCHE (0.35) BCHESCN9AKDM2BTACR1SLC6A5
SCHEMBL4028516 0.96 BCHE (0.35) BCHESCN9AKDM2BTACR1SLC6A5
SCHEMBL4028513 0.96 BCHE (0.35) BCHESCN9AKDM2BTACR1SLC6A5
SCHEMBL4028507 0.96 BCHE (0.35) BCHESCN9AKDM2BTACR1SLC6A5
SCHEMBL4749135 0.93 SLC6A5 (0.32) BCHESCN9AKDM2BACHESLC6A5
SCHEMBL4751839 0.93 KIF11 (0.34) HTR7SCN9AACHE

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