SCHEMBL7523009

SCHEMBL7523009

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.34
OPRK1 P41145 5/20 0.34
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
PDE4B Q07343 2/20 0.32
CYP8B1 Q9UNU6 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TOP1 P11387 1/20 0.31
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 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
SCHEMBL7514068 0.91 POLB (0.35) KCNH2POLBOPRK1PDE4BMEN1
SCHEMBL7511858 0.82 KCNH2 (0.41) KCNH2
SCHEMBL13713214 0.81 DRD2 (0.43) OPRK1
SCHEMBL4515983 0.79 SUV39H2 (0.38) KCNH2TOP1
SCHEMBL4512788 0.75 KCNH2 (0.48) KCNH2POLBTOP1
SCHEMBL4502331 0.74 DRD2 (0.38) POLBOPRK1
SCHEMBL4503103 0.72 KCNH2 (0.40) KCNH2CDK1CDK4CCND1CDK2
SCHEMBL4501493 0.72 KCNH2 (0.44) KCNH2MEN1KMT2A
SCHEMBL4516445 0.71 CTSK (0.38) POLBOPRK1
SCHEMBL4514369 0.71 BTK (0.38) OPRK1

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