SCHEMBL4021780

SCHEMBL4021780

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.35
SCN9A Q15858 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KAT7 O95251 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
UCHL1 P09936 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGDS O60760 1/20 0.32
HSD11B1 P28845 1/20 0.32
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 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
SCHEMBL4751991 1.00 USP30 (0.35) USP30SCN9AABL1EGFRSRC
SCHEMBL4021773 1.00 USP30 (0.35) USP30SCN9AABL1EGFRSRC
SCHEMBL4021776 1.00 USP30 (0.35) USP30SCN9AABL1EGFRSRC
SCHEMBL4788062 0.85 MEN1 (0.33) SCN9AMEN1KMT2AMAPTNPSR1
SCHEMBL4020382 0.84 SCN9A (0.33) SCN9AHSP90AA1HSP90AB1
SCHEMBL4749520 0.84 SCN9A (0.32) SCN9A
SCHEMBL4022836 0.83 BCHE (0.35) SCN9AMEN1KMT2A
SCHEMBL4022533 0.83 BCHE (0.35) SCN9AMEN1KMT2A
SCHEMBL4028516 0.83 BCHE (0.35) SCN9AMEN1KMT2A
SCHEMBL13721158 0.83 BCHE (0.35) SCN9AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed