SCHEMBL7514068

SCHEMBL7514068

CCOC(=O)c1cc(F)c(N2CCC(C(NC=O)OC(C)(C)C)C2)c(C)c1NC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KCNH2 Q12809 4/20 0.35
OPRK1 P41145 5/20 0.33
PDE4B Q07343 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
NR2F2 P24468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
BTK Q06187 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
PPP1CA P62136 1/20 0.32

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
SCHEMBL7523009 0.91 KCNH2 (0.36) POLBKCNH2OPRK1PDE4BMEN1
SCHEMBL7511858 0.91 KCNH2 (0.41) KCNH2BTK
SCHEMBL4514369 0.80 BTK (0.38) OPRK1BTK
SCHEMBL4761406 0.79 POLB (0.35) POLBOPRK1PDE4BALDH1A1MAPT
SCHEMBL4506561 0.78 ACACB (0.40) POLB
SCHEMBL4501734 0.75 KCNH2 (0.46) KCNH2BTK
SCHEMBL4516438 0.73 CTSK (0.38) POLBOPRK1BTK
SCHEMBL4516445 0.73 CTSK (0.38) POLBOPRK1BTK
SCHEMBL6169160 0.73 PDE4B (0.45) POLBPDE4BALDH1A1KDM4EMAPT
SCHEMBL4515747 0.72 DRD2 (0.40) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed