SCHEMBL6198367

SCHEMBL6198367

COC(=O)CC1=CNC(=O)N(C(=O)Oc2ccccc2[N+](=O)[O-])C1c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.41
ADRA1A P35348 10/20 0.41
ADRA1B P35368 10/20 0.41
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH3A1 P30838 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 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
SCHEMBL6198371 0.78 ADRA1D (0.60) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6196703 0.78 PTGS2 (0.36) ADRA1DADRA1AADRA1BRAB9ASMN1; SMN2
SCHEMBL8555300 0.72 ADRA1D (0.45) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6196706 0.67 ADRA1D (0.34) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6198625 0.64 ADRA1D (0.45) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6193641 0.63 ADRA1D (0.54) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL30597073 0.62 ALDH1A1 (0.68) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL12309435 0.62 ALDH1A1 (0.68) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL7564445 0.61 MGLL (0.39)
SCHEMBL983419 0.60 ALDH1A1 (0.62) RAB9ASMN1; SMN2MEN1NPC1KMT2A

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
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed