SCHEMBL4788062

SCHEMBL4788062

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C2CN(C)C2)C[C@H]1C(=O)N1CCC[C@H]1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TACR1 P25103 2/20 0.33
SCN9A Q15858 2/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
OPRM1 P35372 1/20 0.31
MGLL Q99685 2/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HCRTR1 O43613 1/20 0.30
KDM2B Q8NHM5 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4025711 0.90 DRD2 (0.32) TACR1SCN9A
SCHEMBL4023240 0.88 KDM2B (0.32) MEN1KMT2ATACR1SCN9AMAPK1
SCHEMBL4749520 0.87 SCN9A (0.32) SCN9AKDM2B
SCHEMBL4020878 0.86 SCN9A (0.32) SCN9AKDM2B
SCHEMBL4022836 0.86 BCHE (0.35) MEN1KMT2ATACR1SCN9AMGLL
SCHEMBL4028516 0.86 BCHE (0.35) MEN1KMT2ATACR1SCN9AMGLL
SCHEMBL4022533 0.86 BCHE (0.35) MEN1KMT2ATACR1SCN9AMGLL
SCHEMBL4028513 0.86 BCHE (0.35) MEN1KMT2ATACR1SCN9AMGLL
SCHEMBL13721158 0.86 BCHE (0.35) MEN1KMT2ATACR1SCN9AMGLL
SCHEMBL4028507 0.86 BCHE (0.35) MEN1KMT2ATACR1SCN9AMGLL

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